A0A077Z6I4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low57Low199 Ų199105.4 Ų105.498%0.9853%0.533SS*.  0124.50-79.2160.58100107.3
2N53.6Low58.5Low108 Ų108101.4 Ų101.458%0.57852%0.522SS*.  trans-83.7145-174.3-151.5-2.3000108.7R4 D5N2-R4 PolarHBondContact O-N 3.44Å; N2-D5 WeakPolarHBondContact CB-OD2 3.39Å; N2-D5 PolarHBondContact N-OD2 2.82Å; N2-D5 PolarHBondContact O-N 2.98Å
3N54.5Low60.3Low141 Ų141103 Ų10375%0.75452%0.523SS*.Hα-helixtrans-55.6-24.1-178.1-79.5-12.4000113.4S7N3-S7 PolarHBondContact O-N 3.09Å
4R58Low61.6Low195 Ų19597.9 Ų97.974%0.73650%0.495SS*.Hα-helixtrans-66.4-41.8174.1-68.2-175.4179.1179.9-0.6112.9N2 V6 S7 I8N2-R4 PolarHBondContact O-N 3.44Å; R4-V6 VanDerWaalsContact C-N 3.31Å; R4-V6 PolarHBondContact O-N 3.27Å; R4-S7 PolarHBondContact O-N 3.16Å; R4-I8 VanDerWaalsContact O-CG1 3.28Å; R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 3.1Å
5D54.9Low62.6Low80 Ų8098.1 Ų98.143%0.42849%0.493SS..Hα-helixtrans-65.9-39.3-177.2-54.6-35.2000110.7N2 I8 Q9N2-D5 WeakPolarHBondContact CB-OD2 3.39Å; N2-D5 PolarHBondContact N-OD2 2.82Å; N2-D5 PolarHBondContact O-N 2.98Å; D5-I8 PolarHBondContact O-N 3.17Å; D5-Q9 PolarHBondContact O-N 3.48Å; D5-Q9 VanDerWaalsContact O-N 3.13Å
6V57.6Low64Low65 Ų65100 Ų10039%0.39451%0.505SS..Hα-helixtrans-64.9-45.3175.8-1780000110.6R4 I8 Q9 V10R4-V6 VanDerWaalsContact C-N 3.31Å; R4-V6 PolarHBondContact O-N 3.27Å; V6-I8 VanDerWaalsContact C-N 3.34Å; V6-I8 PolarHBondContact O-N 3.5Å; V6-Q9 PolarHBondContact O-N 3.17Å; V6-V10 HydrophobicContact CG1-CG2 4.34Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 WeakPolarHBondContact O-CG2 3.27Å; V6-V10 PolarHBondContact O-N 2.95Å
7S58.4Low65.6Low55 Ų5595 Ų9539%0.38548%0.48SS..Hα-helixtrans-60.2-42.3177.3-170.70000112.3N3 R4 V10 D11N3-S7 PolarHBondContact O-N 3.09Å; R4-S7 PolarHBondContact O-N 3.16Å; S7-V10 PolarHBondContact O-N 3.39Å; S7-D11 WeakPolarHBondContact O-CB 3.44Å; S7-D11 PolarHBondContact O-N 3.17Å
8I59Low67.2Low111 Ų11192.6 Ų92.657%0.56947%0.474SS*.Hα-helixtrans-66.2-42.1-179.2-66.9163.9000111.2R4 D5 V6 D11 S12R4-I8 VanDerWaalsContact O-CG1 3.28Å; R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 3.1Å; D5-I8 PolarHBondContact O-N 3.17Å; V6-I8 VanDerWaalsContact C-N 3.34Å; V6-I8 PolarHBondContact O-N 3.5Å; I8-D11 PolarHBondContact O-N 3.33Å; I8-S12 PolarHBondContact O-N 3.2Å; I8-S12 VanDerWaalsContact O-N 3.09Å
9Q59.7Low68.7Low136 Ų13688.6 Ų88.664%0.63645%0.453SS*.Hα-helixtrans-66.1-41.5178-75.9-174.7-12.900112.5D5 V6 D11 F13D5-Q9 PolarHBondContact O-N 3.48Å; D5-Q9 VanDerWaalsContact O-N 3.13Å; V6-Q9 PolarHBondContact O-N 3.17Å; Q9-D11 VanDerWaalsContact C-N 3.3Å; Q9-D11 PolarHBondContact O-N 3.33Å; Q9-F13 PolarHBondContact O-N 3.43Å
10V61.3Low70.1Confident44 Ų4489 Ų8927%0.26745%0.453SS..Hα-helixtrans-59.8-44.1175.1171.80000109.9V6 S7 F13 Y14V6-V10 HydrophobicContact CG1-CG2 4.34Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 WeakPolarHBondContact O-CG2 3.27Å; V6-V10 PolarHBondContact O-N 2.95Å; S7-V10 PolarHBondContact O-N 3.39Å; V10-F13 PolarHBondContact O-N 3.09Å; V10-Y14 HydrophobicContact CG1-CD2 4Å; V10-Y14 HydrophobicContact CG1-CE2 3.69Å; V10-Y14 WeakPolarHBondContact O-CD2 3.24Å; V10-Y14 PolarHBondContact O-N 3.11Å
11D65.9Low71.2Confident25 Ų2588.9 Ų88.913%0.13445%0.451CS..Hα-helixtrans-63.8-47.9-178.3-69.6-5.8000112.2S7 I8 Q9 F13 Y14 E15 R39S7-D11 WeakPolarHBondContact O-CB 3.44Å; S7-D11 PolarHBondContact O-N 3.17Å; I8-D11 PolarHBondContact O-N 3.33Å; Q9-D11 VanDerWaalsContact C-N 3.3Å; Q9-D11 PolarHBondContact O-N 3.33Å; D11-F13 VanDerWaalsContact C-N 3.27Å; D11-F13 PolarHBondContact O-N 2.88Å; D11-Y14 PolarHBondContact O-N 3.26Å; D11-E15 VanDerWaalsContact O-CG 3.3Å; D11-E15 WeakPolarHBondContact O-CG 3.38Å; D11-E15 PolarHBondContact O-N 3.12Å; D11-E15 VanDerWaalsContact O-N 3.08Å; D11-R39 IonicContact OD1-CZ 2.77Å; D11-R39 IonicContact OD1-NH1 2.72Å; D11-R39 IonicContact OD1-NH2 2.69Å; D11-R39 PolarHBondContact OD1-NH2 3.44Å; D11-R39 IonicContact OD2-CZ 2.98Å; D11-R39 VanDerWaalsContact OD2-CZ 3.31Å; D11-R39 IonicContact OD2-NH1 3.84Å; D11-R39 PolarHBondContact OD2-NH1 3.15Å; D11-R39 IonicContact OD2-NH2 3.8Å; D11-R39 PolarHBondContact OD2-NH2 2.84Å; D11-R39 VanDerWaalsContact OD2-NH2 3.1Å
12S74.2Confident73.6Confident58 Ų5879.4 Ų79.441%0.40640%0.404SS..Hα-helixtrans-62.7-31.5179.7-176.60000113.5I8 N16I8-S12 PolarHBondContact O-N 3.2Å; I8-S12 VanDerWaalsContact O-N 3.09Å; S12-N16 PolarHBondContact O-ND2 2.91Å
13F82.7Confident75.6Confident122 Ų12277.4 Ų77.454%0.53539%0.39SS..Hα-helixtrans-65.4-50.8176.4177.7-98.2000111.4Q9 V10 D11 E15 N16 L17Q9-F13 PolarHBondContact O-N 3.43Å; V10-F13 PolarHBondContact O-N 3.09Å; D11-F13 VanDerWaalsContact C-N 3.27Å; D11-F13 PolarHBondContact O-N 2.88Å; F13-E15 PolarHBondContact O-N 2.9Å; F13-N16 PolarHBondContact O-N 3.05Å; F13-L17 HydrophobicContact CE1-CD1 4.22Å; F13-L17 HydrophobicContact CE1-CD2 4.09Å; F13-L17 HydrophobicContact CE1-CG 4.49Å; F13-L17 HydrophobicContact CZ-CD2 4.02Å
14Y78.3Confident77.5Confident32 Ų3279.4 Ų79.413%0.12539%0.387CS..Hα-helixtrans-70-31.5-177.6-68.8-68.8000112.8V10 D11 N16 L17 C25 V33 A36 I37 N40V10-Y14 HydrophobicContact CG1-CD2 4Å; V10-Y14 HydrophobicContact CG1-CE2 3.69Å; V10-Y14 WeakPolarHBondContact O-CD2 3.24Å; V10-Y14 PolarHBondContact O-N 3.11Å; D11-Y14 PolarHBondContact O-N 3.26Å; Y14-N16 VanDerWaalsContact C-N 3.25Å; Y14-N16 PolarHBondContact O-N 3.37Å; Y14-L17 HydrophobicContact CD1-CD1 3.65Å; Y14-L17 HydrophobicContact CE1-CD1 4.24Å; Y14-L17 PolarHBondContact O-N 3.38Å; Y14-C25 HydrophobicContact CE1-CB 4.27Å; Y14-V33 HydrophobicContact CE1-CG1 3.79Å; Y14-V33 HydrophobicContact CE2-CB 4.45Å; Y14-V33 HydrophobicContact CE2-CG1 4.31Å; Y14-V33 HydrophobicContact CE2-CG2 4.11Å; Y14-V33 WeakPolarHBondContact OH-CG2 3.38Å; Y14-A36 HydrophobicContact CD2-CB 3.5Å; Y14-A36 VanDerWaalsContact CD2-CB 3.5Å; Y14-A36 HydrophobicContact CE2-CB 4.35Å; Y14-A36 HydrophobicContact CG-CB 3.91Å; Y14-I37 HydrophobicContact CD1-CG1 4.47Å; Y14-N40 PolarHBondContact O-ND2 3.2Å
15E76.5Confident79.1Confident101 Ų10171.2 Ų71.247%0.47236%0.36SS..Hα-helixtrans-55-38.4176.7-79.6170.7-16700113.3D11 F13 N40D11-E15 VanDerWaalsContact O-CG 3.3Å; D11-E15 WeakPolarHBondContact O-CG 3.38Å; D11-E15 PolarHBondContact O-N 3.12Å; D11-E15 VanDerWaalsContact O-N 3.08Å; F13-E15 PolarHBondContact O-N 2.9Å; E15-N40 WeakPolarHBondContact CA-ND2 3.16Å; E15-N40 PolarHBondContact O-ND2 2.95Å; E15-N40 VanDerWaalsContact O-ND2 3.15Å
16N84.8Confident81Confident128 Ų12867.5 Ų67.568%0.68434%0.34SS*.THydrogen-bonded Turntrans-92.4-5.1-173-67.8-56.5000114.8S12 F13 Y14S12-N16 PolarHBondContact O-ND2 2.91Å; F13-N16 PolarHBondContact O-N 3.05Å; Y14-N16 VanDerWaalsContact C-N 3.25Å; Y14-N16 PolarHBondContact O-N 3.37Å
17L91.7Very high82.6Confident15 Ų1571.5 Ų71.58%0.07935%0.352CS..  trans-63.1143.7179.3-66.4-176.8000111.5F13 Y14 E21 L22 R44F13-L17 HydrophobicContact CE1-CD1 4.22Å; F13-L17 HydrophobicContact CE1-CD2 4.09Å; F13-L17 HydrophobicContact CE1-CG 4.49Å; F13-L17 HydrophobicContact CZ-CD2 4.02Å; Y14-L17 HydrophobicContact CD1-CD1 3.65Å; Y14-L17 HydrophobicContact CE1-CD1 4.24Å; Y14-L17 PolarHBondContact O-N 3.38Å; L17-E21 HydrophobicContact CB-CB 3.99Å; L17-E21 HydrophobicContact CD1-CB 4.41Å; L17-E21 HydrophobicContact CD2-CB 4.08Å; L17-E21 HydrophobicContact CG-CB 4.38Å; L17-L22 HydrophobicContact CD1-CD1 4.45Å; L17-R44 PolarHBondContact O-NH2 3.29Å
18S94.5Very high84.1Confident52 Ų5271.9 Ų71.936%0.36435%0.352SS..  trans-62.2161.7164.264.50000110.7E20 E21 L22S18-E20 PolarHBondContact O-N 3.23Å; S18-E21 WeakPolarHBondContact CB-OE2 3.49Å; S18-E21 PolarHBondContact N-OE2 3.27Å; S18-E21 PolarHBondContact O-N 2.72Å; S18-E21 WeakPolarHBondContact OG-CB 3.5Å; S18-E21 VanDerWaalsContact OG-CD 3.25Å; S18-E21 VanDerWaalsContact OG-CG 3.24Å; S18-E21 WeakPolarHBondContact OG-CG 3.4Å; S18-E21 PolarHBondContact OG-N 3.46Å; S18-E21 PolarHBondContact OG-OE2 2.92Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.69Å
19L95.9Very high85.4Confident17 Ų1773.9 Ų73.99%0.08936%0.364CS..Hα-helixtrans-61.3-35176.7-70.6172.8000112.1L22 K23 V107 L110 I111 T114L19-L22 PolarHBondContact O-N 3.08Å; L19-K23 WeakPolarHBondContact O-CB 3.47Å; L19-K23 PolarHBondContact O-N 3.41Å; L19-V107 HydrophobicContact CB-CG1 4.49Å; L19-V107 HydrophobicContact CD2-CG1 4.49Å; L19-V107 VanDerWaalsContact O-CG1 3.26Å; L19-V107 WeakPolarHBondContact O-CG1 3.24Å; L19-L110 HydrophobicContact CD1-CB 4.17Å; L19-L110 HydrophobicContact CD2-CB 3.89Å; L19-L110 HydrophobicContact CD2-CD1 4.26Å; L19-I111 HydrophobicContact CB-CD1 4.27Å; L19-I111 HydrophobicContact CB-CG1 3.56Å; L19-I111 HydrophobicContact CD1-CG1 4Å; L19-I111 HydrophobicContact CG-CG1 4.36Å; L19-T114 HydrophobicContact CD1-CG2 4.32Å; L19-T114 WeakPolarHBondContact CD1-OG1 3.28Å
20E95.2Very high86.8Confident95 Ų9570.7 Ų70.744%0.44435%0.351SS..Hα-helixtrans-66.3-40.8175.8-69.7-59.4153.900112.6S18 K23 R24S18-E20 PolarHBondContact O-N 3.23Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.18Å; E20-R24 PolarHBondContact O-N 3.43Å
21E94.8Very high88.2Confident88 Ų8877.3 Ų77.341%0.41138%0.377SS..Hα-helixtrans-67.4-42.1173.8-71.6163.1139.100111.1L17 S18 K23 R24 C25L17-E21 HydrophobicContact CB-CB 3.99Å; L17-E21 HydrophobicContact CD1-CB 4.41Å; L17-E21 HydrophobicContact CD2-CB 4.08Å; L17-E21 HydrophobicContact CG-CB 4.38Å; S18-E21 WeakPolarHBondContact CB-OE2 3.49Å; S18-E21 PolarHBondContact N-OE2 3.27Å; S18-E21 PolarHBondContact O-N 2.72Å; S18-E21 WeakPolarHBondContact OG-CB 3.5Å; S18-E21 VanDerWaalsContact OG-CD 3.25Å; S18-E21 VanDerWaalsContact OG-CG 3.24Å; S18-E21 WeakPolarHBondContact OG-CG 3.4Å; S18-E21 PolarHBondContact OG-N 3.46Å; S18-E21 PolarHBondContact OG-OE2 2.92Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 2.89Å; E21-R24 WeakPolarHBondContact O-CB 3.46Å; E21-R24 PolarHBondContact O-N 3.41Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-C25 PolarHBondContact O-N 3.34Å; E21-C25 PolarHBondContact O-SG 2.89Å; E21-C25 VanDerWaalsContact O-SG 3.4Å
22L94.6Very high89.3Confident0 Ų081.8 Ų81.80%040%0.4CS..Hα-helixtrans-60.5-39.5176.8-164.767.8000111.5L17 S18 L19 R24 C25 C26 I37 N40 I41 V107L17-L22 HydrophobicContact CD1-CD1 4.45Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.69Å; L19-L22 PolarHBondContact O-N 3.08Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.49Å; L22-C25 PolarHBondContact O-N 3.23Å; L22-C26 PolarHBondContact O-N 2.99Å; L22-C26 VanDerWaalsContact O-N 3.08Å; L22-C26 PolarHBondContact O-SG 2.92Å; L22-I37 HydrophobicContact CD1-CB 4.21Å; L22-I37 HydrophobicContact CD1-CG1 3.76Å; L22-I37 HydrophobicContact CD1-CG2 3.99Å; L22-I37 HydrophobicContact CD2-CG2 4.47Å; L22-I37 HydrophobicContact CG-CG2 4.1Å; L22-N40 HydrophobicContact CD2-CB 4.46Å; L22-I41 HydrophobicContact CD2-CG1 4.37Å; L22-V107 HydrophobicContact CB-CG1 4.49Å; L22-V107 HydrophobicContact CB-CG2 4.47Å; L22-V107 HydrophobicContact CD2-CG2 3.71Å; L22-V107 HydrophobicContact CG-CG2 3.94Å
23K95.1Very high90.1Very high66 Ų6679.6 Ų79.629%0.28738%0.384SS..Hα-helixtrans-59.2-43.9174.3-179172.3176.2162.50111.6L19 E20 E21 C25 C26 V107 D108 I111L19-K23 WeakPolarHBondContact O-CB 3.47Å; L19-K23 PolarHBondContact O-N 3.41Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 3.47Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 2.89Å; K23-C25 VanDerWaalsContact C-N 3.35Å; K23-C26 WeakPolarHBondContact O-CB 3.26Å; K23-C26 PolarHBondContact O-N 3.18Å; K23-V107 HydrophobicContact CB-CG1 3.74Å; K23-D108 VanDerWaalsContact CD-OD1 3.31Å; K23-D108 WeakPolarHBondContact CD-OD1 3.19Å; K23-D108 WeakPolarHBondContact CE-OD1 3.36Å; K23-D108 IonicContact NZ-OD1 3.84Å; K23-D108 PolarHBondContact NZ-OD1 3.28Å; K23-I111 HydrophobicContact CD-CD1 4.04Å
24R93.9Very high90.5Very high182 Ų18274.1 Ų74.169%0.68736%0.36SS*.Hα-helixtrans-64-40.1175.7-66172.5-172.91772.4111.7E20 E21 L22 C26 F27E20-R24 WeakPolarHBondContact O-CG 3.18Å; E20-R24 PolarHBondContact O-N 3.43Å; E21-R24 WeakPolarHBondContact O-CB 3.46Å; E21-R24 PolarHBondContact O-N 3.41Å; E21-R24 VanDerWaalsContact O-N 3.12Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.49Å; R24-C26 PolarHBondContact O-N 3.46Å; R24-F27 WeakPolarHBondContact O-CD2 3.48Å; R24-F27 PolarHBondContact O-N 3.42Å
25C92.9Very high91.1Very high24 Ų2474.6 Ų74.616%0.16237%0.368CS..Hα-helixtrans-67.4-20.2176.8-65.40000113.5Y14 E21 L22 K23 F27 T28 I37Y14-C25 HydrophobicContact CE1-CB 4.27Å; E21-C25 PolarHBondContact O-N 3.34Å; E21-C25 PolarHBondContact O-SG 2.89Å; E21-C25 VanDerWaalsContact O-SG 3.4Å; L22-C25 PolarHBondContact O-N 3.23Å; K23-C25 VanDerWaalsContact C-N 3.35Å; C25-F27 PolarHBondContact O-N 3.26Å; C25-F27 VanDerWaalsContact O-N 3.15Å; C25-T28 WeakPolarHBondContact O-CB 3.06Å; C25-T28 PolarHBondContact O-N 3.45Å; C25-T28 PolarHBondContact O-OG1 3.1Å; C25-I37 HydrophobicContact CB-CD1 3.84Å
26C93.6Very high91.8Very high2 Ų270 Ų701%0.01435%0.348CS..THydrogen-bonded Turntrans-62-21.5176.9-68.20000113L22 K23 R24 T28 Q34 H100 R104L22-C26 PolarHBondContact O-N 2.99Å; L22-C26 VanDerWaalsContact O-N 3.08Å; L22-C26 PolarHBondContact O-SG 2.92Å; K23-C26 WeakPolarHBondContact O-CB 3.26Å; K23-C26 PolarHBondContact O-N 3.18Å; R24-C26 PolarHBondContact O-N 3.46Å; C26-T28 VanDerWaalsContact C-N 3.3Å; C26-Q34 PolarHBondContact O-NE2 3.28Å; C26-H100 WeakPolarHBondContact O-CB 2.99Å; C26-R104 HydrophobicContact CB-CB 4.04Å
27F92.4Very high92.2Very high149 Ų14963.9 Ų63.965%0.65432%0.315SS*.THydrogen-bonded Turntrans-81.5-5.1176.9-62.4-79.6000114R24 C25 D29R24-F27 WeakPolarHBondContact O-CD2 3.48Å; R24-F27 PolarHBondContact O-N 3.42Å; C25-F27 PolarHBondContact O-N 3.26Å; C25-F27 VanDerWaalsContact O-N 3.15Å; F27-D29 PolarHBondContact O-N 2.94Å
28T90.2Very high92.3Very high62 Ų6264.6 Ų64.638%0.3832%0.321SS..  trans-79.3120178.2-55.30000110.9C25 C26 D30 V33 Q34C25-T28 WeakPolarHBondContact O-CB 3.06Å; C25-T28 PolarHBondContact O-N 3.45Å; C25-T28 PolarHBondContact O-OG1 3.1Å; C26-T28 VanDerWaalsContact C-N 3.3Å; T28-D30 HydrophobicContact CG2-CB 3.94Å; T28-D30 PolarHBondContact O-N 3.02Å; T28-V33 HydrophobicContact CG2-CB 4.44Å; T28-V33 HydrophobicContact CG2-CG1 4.29Å; T28-V33 HydrophobicContact CG2-CG2 4.37Å; T28-Q34 PolarHBondContact O-NE2 2.99Å
29D85.4Confident92.2Very high153 Ų15367.4 Ų67.482%0.81832%0.324SS*.  trans-83.554.2177.7-164.323.3000112.5F27F27-D29 PolarHBondContact O-N 2.94Å
30D89.7Confident92.1Very high69 Ų6966.9 Ų66.937%0.36932%0.321SS..  trans-119126.7174.9-179.1-60.6000110T28 L32 V33 Q34T28-D30 HydrophobicContact CG2-CB 3.94Å; T28-D30 PolarHBondContact O-N 3.02Å; D30-L32 PolarHBondContact O-N 3.48Å; D30-L32 WeakPolarHBondContact OD1-CA 3.48Å; D30-L32 WeakPolarHBondContact OD1-CB 3.44Å; D30-L32 PolarHBondContact OD1-N 2.94Å; D30-V33 HydrophobicContact CB-CB 3.94Å; D30-V33 HydrophobicContact CB-CG2 3.7Å; D30-V33 PolarHBondContact O-N 3.05Å; D30-V33 PolarHBondContact OD1-N 2.94Å; D30-Q34 WeakPolarHBondContact O-CB 3.41Å; D30-Q34 VanDerWaalsContact O-CG 3.22Å; D30-Q34 WeakPolarHBondContact O-CG 3.42Å; D30-Q34 PolarHBondContact O-N 2.98Å
31K90Very high92.1Very high184 Ų18462.4 Ų62.480%0.830%0.3SS*.Hα-helixtrans-63.6-37.6-176-69.4-176.8-178.81770113.3S35K31-S35 VanDerWaalsContact O-CB 3.3Å; K31-S35 WeakPolarHBondContact O-CB 3.35Å; K31-S35 PolarHBondContact O-N 3.25Å
32L89.4Confident92.1Very high118 Ų11861.3 Ų61.362%0.61830%0.299SS*.Hα-helixtrans-69.1-45.3178.5-64.1176.2000109.9D30 Q34 S35 A36D30-L32 PolarHBondContact O-N 3.48Å; D30-L32 WeakPolarHBondContact OD1-CA 3.48Å; D30-L32 WeakPolarHBondContact OD1-CB 3.44Å; D30-L32 PolarHBondContact OD1-N 2.94Å; L32-Q34 PolarHBondContact O-N 3.35Å; L32-S35 WeakPolarHBondContact O-CB 3.39Å; L32-S35 PolarHBondContact O-N 2.88Å; L32-S35 VanDerWaalsContact O-N 3.17Å; L32-A36 PolarHBondContact O-N 3.18Å
33V89.5Confident92Very high12 Ų1264.6 Ų64.67%0.07332%0.317CS..Hα-helixtrans-57.8-51.6175.3176.40000110.6Y14 T28 D30 S35 A36 I37Y14-V33 HydrophobicContact CE1-CG1 3.79Å; Y14-V33 HydrophobicContact CE2-CB 4.45Å; Y14-V33 HydrophobicContact CE2-CG1 4.31Å; Y14-V33 HydrophobicContact CE2-CG2 4.11Å; Y14-V33 WeakPolarHBondContact OH-CG2 3.38Å; T28-V33 HydrophobicContact CG2-CB 4.44Å; T28-V33 HydrophobicContact CG2-CG1 4.29Å; T28-V33 HydrophobicContact CG2-CG2 4.37Å; D30-V33 HydrophobicContact CB-CB 3.94Å; D30-V33 HydrophobicContact CB-CG2 3.7Å; D30-V33 PolarHBondContact O-N 3.05Å; D30-V33 PolarHBondContact OD1-N 2.94Å; V33-S35 PolarHBondContact O-N 3.06Å; V33-A36 PolarHBondContact O-N 2.98Å; V33-A36 VanDerWaalsContact O-N 3.12Å; V33-I37 HydrophobicContact CG1-CD1 3.79Å; V33-I37 HydrophobicContact CG1-CG1 4.4Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.29Å; V33-I37 PolarHBondContact O-N 3.33Å
34Q92.3Very high92Very high7 Ų764.3 Ų64.33%0.03331%0.314CS..Hα-helixtrans-63.5-30.2179.4-66.8-64.7-2800112.8C26 T28 D30 L32 S38 R99 N103C26-Q34 PolarHBondContact O-NE2 3.28Å; T28-Q34 PolarHBondContact O-NE2 2.99Å; D30-Q34 WeakPolarHBondContact O-CB 3.41Å; D30-Q34 VanDerWaalsContact O-CG 3.22Å; D30-Q34 WeakPolarHBondContact O-CG 3.42Å; D30-Q34 PolarHBondContact O-N 2.98Å; L32-Q34 PolarHBondContact O-N 3.35Å; Q34-S38 WeakPolarHBondContact O-CB 3.43Å; Q34-S38 PolarHBondContact O-N 2.85Å; Q34-S38 PolarHBondContact O-OG 2.9Å; Q34-R99 HydrophobicContact CB-CG 4.11Å; Q34-N103 PolarHBondContact O-ND2 3.12Å; Q34-N103 VanDerWaalsContact O-ND2 3.09Å; Q34-N103 PolarHBondContact OE1-ND2 3.37Å
35S91.5Very high92.2Very high42 Ų4256.3 Ų56.329%0.29429%0.285SS..Hα-helixtrans-72.5-39.4173.9-157.50000112.7K31 L32 V33 S38 R39 R99K31-S35 VanDerWaalsContact O-CB 3.3Å; K31-S35 WeakPolarHBondContact O-CB 3.35Å; K31-S35 PolarHBondContact O-N 3.25Å; L32-S35 WeakPolarHBondContact O-CB 3.39Å; L32-S35 PolarHBondContact O-N 2.88Å; L32-S35 VanDerWaalsContact O-N 3.17Å; V33-S35 PolarHBondContact O-N 3.06Å; S35-S38 PolarHBondContact O-N 3.29Å; S35-R39 PolarHBondContact O-N 2.59Å; S35-R99 PolarHBondContact OG-NH1 2.66Å
36A90.9Very high92.3Very high5 Ų561 Ų614%0.04130%0.304CS..Hα-helixtrans-64.4-44.5173.700000111.3Y14 L32 V33 S38 R39 N40Y14-A36 HydrophobicContact CD2-CB 3.5Å; Y14-A36 VanDerWaalsContact CD2-CB 3.5Å; Y14-A36 HydrophobicContact CE2-CB 4.35Å; Y14-A36 HydrophobicContact CG-CB 3.91Å; L32-A36 PolarHBondContact O-N 3.18Å; V33-A36 PolarHBondContact O-N 2.98Å; V33-A36 VanDerWaalsContact O-N 3.12Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.16Å; A36-R39 PolarHBondContact O-N 3.32Å; A36-N40 PolarHBondContact O-N 3.5Å
37I92.8Very high92.4Very high0 Ų067.5 Ų67.50%033%0.332CS..Hα-helixtrans-58.1-44.7173.8-64.2168.7000111.1Y14 L22 C25 V33 R39 N40 I41 N103Y14-I37 HydrophobicContact CD1-CG1 4.47Å; L22-I37 HydrophobicContact CD1-CB 4.21Å; L22-I37 HydrophobicContact CD1-CG1 3.76Å; L22-I37 HydrophobicContact CD1-CG2 3.99Å; L22-I37 HydrophobicContact CD2-CG2 4.47Å; L22-I37 HydrophobicContact CG-CG2 4.1Å; C25-I37 HydrophobicContact CB-CD1 3.84Å; V33-I37 HydrophobicContact CG1-CD1 3.79Å; V33-I37 HydrophobicContact CG1-CG1 4.4Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.29Å; V33-I37 PolarHBondContact O-N 3.33Å; I37-R39 VanDerWaalsContact C-N 3.34Å; I37-R39 PolarHBondContact O-N 2.87Å; I37-N40 WeakPolarHBondContact O-CB 3.23Å; I37-N40 PolarHBondContact O-N 3.35Å; I37-I41 HydrophobicContact CG2-CD1 3.66Å; I37-I41 HydrophobicContact CG2-CG1 4.3Å; I37-I41 VanDerWaalsContact O-CG1 3.31Å; I37-I41 WeakPolarHBondContact O-CG1 3.27Å; I37-I41 PolarHBondContact O-N 3.31Å; I37-N103 HydrophobicContact CG2-CB 3.83Å
38S93.8Very high92.5Very high29 Ų2961 Ų6120%0.20331%0.305CS..Hα-helixtrans-60-43-179.7-55.20000112.3Q34 S35 A36 I41 V42 N103Q34-S38 WeakPolarHBondContact O-CB 3.43Å; Q34-S38 PolarHBondContact O-N 2.85Å; Q34-S38 PolarHBondContact O-OG 2.9Å; S35-S38 PolarHBondContact O-N 3.29Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.16Å; S38-I41 PolarHBondContact O-N 2.77Å; S38-V42 WeakPolarHBondContact O-CG2 3.45Å; S38-V42 PolarHBondContact O-N 2.89Å; S38-V42 VanDerWaalsContact O-N 3.14Å; S38-N103 PolarHBondContact OG-ND2 3.11Å; S38-N103 PolarHBondContact OG-OD1 3.11Å
39R92Very high92.8Very high111 Ų11158.7 Ų58.742%0.41929%0.291SS..Hα-helixtrans-64.8-46.5176-75.6178.2-69.7-178.10.6111.3D11 S35 A36 I37 I41 V42 D43D11-R39 IonicContact OD1-CZ 2.77Å; D11-R39 IonicContact OD1-NH1 2.72Å; D11-R39 IonicContact OD1-NH2 2.69Å; D11-R39 PolarHBondContact OD1-NH2 3.44Å; D11-R39 IonicContact OD2-CZ 2.98Å; D11-R39 VanDerWaalsContact OD2-CZ 3.31Å; D11-R39 IonicContact OD2-NH1 3.84Å; D11-R39 PolarHBondContact OD2-NH1 3.15Å; D11-R39 IonicContact OD2-NH2 3.8Å; D11-R39 PolarHBondContact OD2-NH2 2.84Å; D11-R39 VanDerWaalsContact OD2-NH2 3.1Å; S35-R39 PolarHBondContact O-N 2.59Å; A36-R39 PolarHBondContact O-N 3.32Å; I37-R39 VanDerWaalsContact C-N 3.34Å; I37-R39 PolarHBondContact O-N 2.87Å; R39-I41 VanDerWaalsContact C-N 3.29Å; R39-I41 PolarHBondContact O-N 2.86Å; R39-V42 PolarHBondContact O-N 2.69Å; R39-V42 VanDerWaalsContact O-N 3.08Å; R39-D43 PolarHBondContact O-N 2.9Å
40N93.3Very high93.2Very high6 Ų655.8 Ų55.83%0.03228%0.282CS..Hα-helixtrans-55.5-44.4176.5-173.8-58000112Y14 E15 L22 A36 I37 V42 D43 R44Y14-N40 PolarHBondContact O-ND2 3.2Å; E15-N40 WeakPolarHBondContact CA-ND2 3.16Å; E15-N40 PolarHBondContact O-ND2 2.95Å; E15-N40 VanDerWaalsContact O-ND2 3.15Å; L22-N40 HydrophobicContact CD2-CB 4.46Å; A36-N40 PolarHBondContact O-N 3.5Å; I37-N40 WeakPolarHBondContact O-CB 3.23Å; I37-N40 PolarHBondContact O-N 3.35Å; N40-V42 PolarHBondContact O-N 2.72Å; N40-D43 PolarHBondContact O-N 3.27Å; N40-R44 WeakPolarHBondContact O-CB 3.3Å; N40-R44 WeakPolarHBondContact O-CG 3.4Å; N40-R44 PolarHBondContact O-N 3.45Å; N40-R44 VanDerWaalsContact OD1-CD 3.23Å; N40-R44 WeakPolarHBondContact OD1-CD 3.38Å; N40-R44 PolarHBondContact OD1-NE 2.93Å
41I95.5Very high93.5Very high1 Ų155.4 Ų55.41%0.00528%0.278CS..Hα-helixtrans-58.4-49175.6-71.9161.1000110.9L22 I37 S38 R39 D43 R44 I45 V89 V93 N103 V107 L110L22-I41 HydrophobicContact CD2-CG1 4.37Å; I37-I41 HydrophobicContact CG2-CD1 3.66Å; I37-I41 HydrophobicContact CG2-CG1 4.3Å; I37-I41 VanDerWaalsContact O-CG1 3.31Å; I37-I41 WeakPolarHBondContact O-CG1 3.27Å; I37-I41 PolarHBondContact O-N 3.31Å; S38-I41 PolarHBondContact O-N 2.77Å; R39-I41 VanDerWaalsContact C-N 3.29Å; R39-I41 PolarHBondContact O-N 2.86Å; I41-D43 PolarHBondContact O-N 3.4Å; I41-R44 PolarHBondContact O-N 3.35Å; I41-I45 HydrophobicContact CG2-CD1 3.75Å; I41-I45 HydrophobicContact CG2-CG1 4.31Å; I41-I45 VanDerWaalsContact O-CG1 3.24Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.37Å; I41-V89 HydrophobicContact CG2-CG1 4.39Å; I41-V93 HydrophobicContact CG2-CG1 3.77Å; I41-N103 HydrophobicContact CD1-CB 3.87Å; I41-N103 WeakPolarHBondContact CD1-OD1 3.43Å; I41-V107 HydrophobicContact CD1-CG2 3.99Å; I41-V107 HydrophobicContact CG1-CG2 4Å; I41-L110 HydrophobicContact CB-CD1 4.42Å; I41-L110 HydrophobicContact CG1-CD1 4.33Å; I41-L110 HydrophobicContact CG2-CD1 4.14Å
42V94.8Very high93.7Very high66 Ų6646.9 Ų46.940%0.424%0.241SC..Hα-helixtrans-59.1-48.4179.4171.70000111S38 R39 N40 R44 I45 E46S38-V42 WeakPolarHBondContact O-CG2 3.45Å; S38-V42 PolarHBondContact O-N 2.89Å; S38-V42 VanDerWaalsContact O-N 3.14Å; R39-V42 PolarHBondContact O-N 2.69Å; R39-V42 VanDerWaalsContact O-N 3.08Å; N40-V42 PolarHBondContact O-N 2.72Å; V42-R44 VanDerWaalsContact C-N 3.27Å; V42-R44 PolarHBondContact O-N 3.39Å; V42-I45 WeakPolarHBondContact O-CB 3.49Å; V42-I45 PolarHBondContact O-N 3.05Å; V42-E46 PolarHBondContact O-N 3.45Å; V42-E46 VanDerWaalsContact O-N 3.11Å
43D93.6Very high93.8Very high68 Ų6846 Ų4636%0.36424%0.24SC..Hα-helixtrans-61-37.4178.9-64.1-16.1000111.9R39 N40 I41 K47R39-D43 PolarHBondContact O-N 2.9Å; N40-D43 PolarHBondContact O-N 3.27Å; I41-D43 PolarHBondContact O-N 3.4Å; D43-K47 WeakPolarHBondContact O-CG 3.46Å; D43-K47 PolarHBondContact O-N 3.03Å
44R95.5Very high93.9Very high60 Ų6052.8 Ų52.823%0.22627%0.269CS..Hα-helixtrans-70.9-40.6176.3-73.8-175.2-171.5-117.9-7.6112.4L17 N40 I41 V42 E46 K47 V48 L110L17-R44 PolarHBondContact O-NH2 3.29Å; N40-R44 WeakPolarHBondContact O-CB 3.3Å; N40-R44 WeakPolarHBondContact O-CG 3.4Å; N40-R44 PolarHBondContact O-N 3.45Å; N40-R44 VanDerWaalsContact OD1-CD 3.23Å; N40-R44 WeakPolarHBondContact OD1-CD 3.38Å; N40-R44 PolarHBondContact OD1-NE 2.93Å; I41-R44 PolarHBondContact O-N 3.35Å; V42-R44 VanDerWaalsContact C-N 3.27Å; V42-R44 PolarHBondContact O-N 3.39Å; R44-E46 VanDerWaalsContact C-N 3.27Å; R44-E46 PolarHBondContact O-N 3.32Å; R44-K47 PolarHBondContact O-N 3.48Å; R44-V48 WeakPolarHBondContact O-CG1 3.34Å; R44-V48 WeakPolarHBondContact O-CG2 3.49Å; R44-V48 PolarHBondContact O-N 2.99Å; R44-L110 HydrophobicContact CB-CD1 3.99Å; R44-L110 HydrophobicContact CB-CD2 4.27Å
45I96.6Very high93.8Very high14 Ų1453.4 Ų53.47%0.07227%0.273CS..Hα-helixtrans-54.8-47.2174.7-71.1164.7000109.9I41 V42 V48 S49 L86 V89 R90 V93 L110I41-I45 HydrophobicContact CG2-CD1 3.75Å; I41-I45 HydrophobicContact CG2-CG1 4.31Å; I41-I45 VanDerWaalsContact O-CG1 3.24Å; I41-I45 WeakPolarHBondContact O-CG1 3.44Å; I41-I45 PolarHBondContact O-N 3.37Å; V42-I45 WeakPolarHBondContact O-CB 3.49Å; V42-I45 PolarHBondContact O-N 3.05Å; I45-V48 WeakPolarHBondContact O-CG2 3.36Å; I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.3Å; I45-S49 PolarHBondContact O-N 3.3Å; I45-S49 PolarHBondContact O-OG 3.05Å; I45-L86 HydrophobicContact CG2-CD1 4.04Å; I45-V89 HydrophobicContact CD1-CB 4.31Å; I45-V89 HydrophobicContact CD1-CG1 3.44Å; I45-V89 VanDerWaalsContact CD1-CG1 3.44Å; I45-V89 HydrophobicContact CG1-CB 4.23Å; I45-V89 HydrophobicContact CG1-CG1 3.5Å; I45-R90 HydrophobicContact CG2-CG 4.25Å; I45-V93 HydrophobicContact CD1-CG1 3.96Å; I45-L110 HydrophobicContact CG1-CD2 4.22Å
46E95.8Very high93.5Very high124 Ų12451.7 Ų51.758%0.57926%0.261SS*.Hα-helixtrans-62.1-48.4179.4-69.3-176.2176.600111.7V42 R44 S49 C50V42-E46 PolarHBondContact O-N 3.45Å; V42-E46 VanDerWaalsContact O-N 3.11Å; R44-E46 VanDerWaalsContact C-N 3.27Å; R44-E46 PolarHBondContact O-N 3.32Å; E46-S49 WeakPolarHBondContact O-CB 3.32Å; E46-S49 PolarHBondContact O-N 2.97Å; E46-C50 PolarHBondContact O-N 3.08Å; E46-C50 VanDerWaalsContact O-N 3.08Å; E46-C50 PolarHBondContact O-SG 3.02Å
47K95Very high92.9Very high138 Ų13852.7 Ų52.760%0.627%0.272SS*.Hα-helixtrans-57.7-52.8177.5-71.8171.5-175.4173.80111.9D43 R44 S49 C50 E51D43-K47 WeakPolarHBondContact O-CG 3.46Å; D43-K47 PolarHBondContact O-N 3.03Å; R44-K47 PolarHBondContact O-N 3.48Å; K47-S49 VanDerWaalsContact C-N 3.28Å; K47-S49 PolarHBondContact O-N 3.4Å; K47-C50 PolarHBondContact O-N 3.28Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.22Å
48V96Very high92.1Very high12 Ų1257.8 Ų57.87%0.07330%0.297CS..Hα-helixtrans-67.5-29.1-179.4-57.40000112.3R44 I45 L52 L86 L110 V113 I117R44-V48 WeakPolarHBondContact O-CG1 3.34Å; R44-V48 WeakPolarHBondContact O-CG2 3.49Å; R44-V48 PolarHBondContact O-N 2.99Å; I45-V48 WeakPolarHBondContact O-CG2 3.36Å; V48-L52 WeakPolarHBondContact O-CB 3.22Å; V48-L52 PolarHBondContact O-N 3.09Å; V48-L86 HydrophobicContact CG2-CD1 3.87Å; V48-L110 HydrophobicContact CG2-CD2 4.03Å; V48-V113 HydrophobicContact CB-CG1 4.17Å; V48-V113 HydrophobicContact CG2-CG1 4.06Å; V48-I117 HydrophobicContact CB-CD1 3.7Å; V48-I117 HydrophobicContact CG1-CD1 4.15Å
49S95.5Very high91.1Very high14 Ų1457.7 Ų57.710%0.09830%0.295CS..Hα-helixtrans-63-47.2174.2-61.20000111.5I45 E46 K47 T53 L86 R90I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.3Å; I45-S49 PolarHBondContact O-N 3.3Å; I45-S49 PolarHBondContact O-OG 3.05Å; E46-S49 WeakPolarHBondContact O-CB 3.32Å; E46-S49 PolarHBondContact O-N 2.97Å; K47-S49 VanDerWaalsContact C-N 3.28Å; K47-S49 PolarHBondContact O-N 3.4Å; S49-T53 WeakPolarHBondContact O-CB 3.32Å; S49-T53 PolarHBondContact O-N 3.2Å; S49-T53 PolarHBondContact O-OG1 3.33Å; S49-L86 WeakPolarHBondContact OG-CD2 3.41Å; S49-R90 PolarHBondContact OG-NH2 2.84Å
50C94.7Very high90.2Very high91 Ų9157.2 Ų57.262%0.61530%0.3SS*.Hα-helixtrans-63.3-46.4177.2-700000111.2E46 K47 T53 F54E46-C50 PolarHBondContact O-N 3.08Å; E46-C50 VanDerWaalsContact O-N 3.08Å; E46-C50 PolarHBondContact O-SG 3.02Å; K47-C50 PolarHBondContact O-N 3.28Å; C50-T53 PolarHBondContact O-N 2.97Å; C50-F54 PolarHBondContact O-N 3.38Å; C50-F54 VanDerWaalsContact O-N 3.13Å
51E94.6Very high89.1Confident62 Ų6263.7 Ų63.729%0.2934%0.335SS..Hα-helixtrans-61.2-46.4178.3-70.5-177.6173.600112.2K47 T53 F54 L55 I117 R121K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.22Å; E51-T53 VanDerWaalsContact C-N 3.34Å; E51-T53 PolarHBondContact O-N 3.08Å; E51-F54 PolarHBondContact O-N 3.14Å; E51-L55 WeakPolarHBondContact O-CG 3.46Å; E51-L55 PolarHBondContact O-N 3.45Å; E51-I117 HydrophobicContact CB-CD1 4.38Å; E51-R121 IonicContact OE1-CZ 3.55Å; E51-R121 IonicContact OE1-NH1 3.32Å; E51-R121 IonicContact OE1-NH2 3.86Å; E51-R121 PolarHBondContact OE1-NH2 2.97Å; E51-R121 IonicContact OE2-CZ 3.95Å; E51-R121 VanDerWaalsContact OE2-CZ 3.26Å; E51-R121 IonicContact OE2-NH1 2.68Å; E51-R121 PolarHBondContact OE2-NH1 3.37Å; E51-R121 VanDerWaalsContact OE2-NH1 3.14Å; E51-R121 IonicContact OE2-NH2 3.55Å; E51-R121 PolarHBondContact OE2-NH2 3.09Å
52L94.4Very high87.8Confident5 Ų565.7 Ų65.73%0.02635%0.345CS..Hα-helixtrans-65.6-38.5-179.8-178.658.8000111.8V48 F54 L55 S56 A82 K83 L86 I117 L120V48-L52 WeakPolarHBondContact O-CB 3.22Å; V48-L52 PolarHBondContact O-N 3.09Å; L52-F54 VanDerWaalsContact C-N 3.3Å; L52-F54 PolarHBondContact O-N 3.23Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-S56 VanDerWaalsContact O-CB 3.25Å; L52-S56 WeakPolarHBondContact O-CB 3.5Å; L52-S56 PolarHBondContact O-N 2.79Å; L52-S56 PolarHBondContact O-OG 2.96Å; L52-A82 HydrophobicContact CD1-CB 3.64Å; L52-A82 HydrophobicContact CD2-CB 3.84Å; L52-A82 HydrophobicContact CG-CB 4.41Å; L52-K83 HydrophobicContact CD2-CB 4.39Å; L52-K83 HydrophobicContact CD2-CG 3.82Å; L52-K83 HydrophobicContact CG-CG 4.33Å; L52-L86 HydrophobicContact CD2-CD2 4.16Å; L52-I117 HydrophobicContact CB-CD1 4.25Å; L52-I117 HydrophobicContact CB-CG1 4.48Å; L52-I117 HydrophobicContact CD1-CG1 4.48Å; L52-L120 HydrophobicContact CD1-CD1 4.19Å
53T92.6Very high86.6Confident98 Ų9865.5 Ų65.560%0.60135%0.346SS*.Hα-helixtrans-60.8-42.9175.8-57.40000111S49 C50 E51 G57S49-T53 WeakPolarHBondContact O-CB 3.32Å; S49-T53 PolarHBondContact O-N 3.2Å; S49-T53 PolarHBondContact O-OG1 3.33Å; C50-T53 PolarHBondContact O-N 2.97Å; E51-T53 VanDerWaalsContact C-N 3.34Å; E51-T53 PolarHBondContact O-N 3.08Å; T53-G57 PolarHBondContact O-N 3.45Å; T53-G57 VanDerWaalsContact O-N 3.09Å
54F91.1Very high85.3Confident155 Ų15569.1 Ų69.168%0.6836%0.364SS*.Hα-helixtrans-64.2-47.3176.6178.1-97.1000112C50 E51 L52C50-F54 PolarHBondContact O-N 3.38Å; C50-F54 VanDerWaalsContact O-N 3.13Å; E51-F54 PolarHBondContact O-N 3.14Å; L52-F54 VanDerWaalsContact C-N 3.3Å; L52-F54 PolarHBondContact O-N 3.23Å
55L90.4Very high84Confident21 Ų2172.8 Ų72.811%0.1138%0.382CS..Hα-helixtrans-70.2-38.3-178.4-68.1168.6000112.7E51 L52 I117 L120 R121E51-L55 WeakPolarHBondContact O-CG 3.46Å; E51-L55 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 3.49Å; L55-I117 HydrophobicContact CD1-CB 4.45Å; L55-I117 HydrophobicContact CD1-CG2 3.79Å; L55-L120 HydrophobicContact CD1-CB 4.21Å; L55-R121 HydrophobicContact CD1-CG 3.87Å; L55-R121 HydrophobicContact CD2-CG 4.11Å
56S83.9Confident82.4Confident6 Ų676.6 Ų76.64%0.04240%0.4CS..Hα-helixtrans-76.4-28-179.181.30000112.7L52 I58 L59 D60 S79 K83L52-S56 VanDerWaalsContact O-CB 3.25Å; L52-S56 WeakPolarHBondContact O-CB 3.5Å; L52-S56 PolarHBondContact O-N 2.79Å; L52-S56 PolarHBondContact O-OG 2.96Å; S56-I58 PolarHBondContact O-N 3.35Å; S56-I58 VanDerWaalsContact O-N 3.16Å; S56-L59 WeakPolarHBondContact O-CA 3.45Å; S56-L59 PolarHBondContact O-N 3.36Å; S56-D60 VanDerWaalsContact O-CG 3.26Å; S56-D60 PolarHBondContact O-N 3.37Å; S56-D60 PolarHBondContact OG-OD2 3.31Å; S56-D60 VanDerWaalsContact OG-OD2 3.09Å; S56-S79 WeakPolarHBondContact CB-OG 3.07Å; S56-K83 WeakPolarHBondContact OG-CE 3.46Å; S56-K83 PolarHBondContact OG-NZ 3.39Å
57G80.2Confident80.9Confident26 Ų2672.2 Ų72.227%0.26838%0.381SS..Hα-helixtrans-53.8-34.7174.900000112.3T53 L59 D60 D61T53-G57 PolarHBondContact O-N 3.45Å; T53-G57 VanDerWaalsContact O-N 3.09Å; G57-L59 PolarHBondContact O-N 3.48Å; G57-D60 PolarHBondContact O-N 2.95Å; G57-D61 PolarHBondContact O-N 3.43Å
58I74.4Confident79.5Confident106 Ų10673.1 Ų73.154%0.54439%0.387SS..Hα-helixtrans-58.9-36.5174.6-58.7173.7000111.6S56 I62S56-I58 PolarHBondContact O-N 3.35Å; S56-I58 VanDerWaalsContact O-N 3.16Å; I58-I62 WeakPolarHBondContact O-CD1 3.34Å; I58-I62 WeakPolarHBondContact O-CG1 3.25Å
59L73.8Confident78.6Confident27 Ų2775.9 Ų75.914%0.14140%0.404CS..Hα-helixtrans-88.1-33.4-179.4-62.8172.8000112.5S56 G57 D61 I62 F75 L120S56-L59 WeakPolarHBondContact O-CA 3.45Å; S56-L59 PolarHBondContact O-N 3.36Å; G57-L59 PolarHBondContact O-N 3.48Å; L59-D61 VanDerWaalsContact C-N 3.29Å; L59-D61 PolarHBondContact O-N 2.89Å; L59-I62 HydrophobicContact CD2-CD1 4.09Å; L59-I62 PolarHBondContact O-N 3.38Å; L59-F75 HydrophobicContact CD1-CB 4.39Å; L59-F75 HydrophobicContact CD2-CB 4.4Å; L59-L120 HydrophobicContact CD1-CD2 4.47Å
60D71.9Confident77.8Confident101 Ų10182.3 Ų82.354%0.5443%0.432SS..Hα-helixtrans-68.2-29.4-178.2-65.5-37.1000111.4S56 G57 I62 K83S56-D60 VanDerWaalsContact O-CG 3.26Å; S56-D60 PolarHBondContact O-N 3.37Å; S56-D60 PolarHBondContact OG-OD2 3.31Å; S56-D60 VanDerWaalsContact OG-OD2 3.09Å; G57-D60 PolarHBondContact O-N 2.95Å; D60-I62 VanDerWaalsContact C-N 3.34Å; D60-K83 IonicContact OD1-NZ 3.26Å; D60-K83 PolarHBondContact OD1-NZ 2.87Å; D60-K83 IonicContact OD2-NZ 2.59Å; D60-K83 PolarHBondContact OD2-NZ 3.04Å
61D71Confident77.3Confident143 Ų14380.1 Ų80.177%0.76542%0.416SS*.THydrogen-bonded Turntrans-83.6-2.8176.6-75-29.8000114.3G57 L59 P63G57-D61 PolarHBondContact O-N 3.43Å; L59-D61 VanDerWaalsContact C-N 3.29Å; L59-D61 PolarHBondContact O-N 2.89Å; D61-P63 WeakPolarHBondContact O-CD 3.36Å
62I67.4Low76.8Confident42 Ų4278.3 Ų78.322%0.21541%0.408CS..SBendtrans-84.8125.7-175.6-54.7176.6000110I58 L59 D60 L64 M66 M72I58-I62 WeakPolarHBondContact O-CD1 3.34Å; I58-I62 WeakPolarHBondContact O-CG1 3.25Å; L59-I62 HydrophobicContact CD2-CD1 4.09Å; L59-I62 PolarHBondContact O-N 3.38Å; D60-I62 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.21Å; I62-M66 HydrophobicContact CG2-CB 3.33Å; I62-M66 HydrophobicContact CG2-CG 4.11Å; I62-M72 HydrophobicContact CB-CE 3.6Å; I62-M72 HydrophobicContact CD1-CE 3.28Å; I62-M72 HydrophobicContact CD1-SD 4.11Å; I62-M72 HydrophobicContact CG1-CE 3.97Å; I62-M72 HydrophobicContact CG2-CE 3.26Å; I62-M72 HydrophobicContact CG2-SD 3.75Å
63P69.6Low76.5Confident63 Ų6383.2 Ų83.241%0.40943%0.432SS..  trans-53.4140.5177.1-29.135.9000112.8D61 F65 M66 L67D61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-F65 HydrophobicContact CB-CD1 3.41Å; P63-F65 VanDerWaalsContact CB-CD1 3.41Å; P63-F65 HydrophobicContact CB-CE1 3.14Å; P63-F65 HydrophobicContact CB-CG 4.34Å; P63-F65 HydrophobicContact CB-CZ 3.89Å; P63-F65 HydrophobicContact CG-CD1 4.49Å; P63-F65 HydrophobicContact CG-CE1 3.77Å; P63-F65 HydrophobicContact CG-CZ 4.19Å; P63-F65 PolarHBondContact O-N 3.43Å; P63-M66 HydrophobicContact CB-CG 4.47Å; P63-M66 WeakPolarHBondContact O-CA 3.39Å; P63-M66 WeakPolarHBondContact O-CB 3.48Å; P63-M66 PolarHBondContact O-N 2.91Å; P63-L67 PolarHBondContact O-N 3.47Å
64L68Low76.4Confident143 Ų14378.7 Ų78.775%0.74941%0.405SS*.THydrogen-bonded Turntrans-50.6-31.7-179.8-74167.2000114.2I62 M66 L67I62-L64 PolarHBondContact O-N 3.21Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.43Å; L64-L67 HydrophobicContact CD2-CD1 3.96Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 2.97Å
65F67.2Low76.5Confident137 Ų13771.9 Ų71.960%0.60138%0.375SS*.THydrogen-bonded Turntrans-70.5-26.9177.672.6-95.8000113.2P63 Q68P63-F65 HydrophobicContact CB-CD1 3.41Å; P63-F65 VanDerWaalsContact CB-CD1 3.41Å; P63-F65 HydrophobicContact CB-CE1 3.14Å; P63-F65 HydrophobicContact CB-CG 4.34Å; P63-F65 HydrophobicContact CB-CZ 3.89Å; P63-F65 HydrophobicContact CG-CD1 4.49Å; P63-F65 HydrophobicContact CG-CE1 3.77Å; P63-F65 HydrophobicContact CG-CZ 4.19Å; P63-F65 PolarHBondContact O-N 3.43Å; F65-Q68 WeakPolarHBondContact O-CB 3.23Å
66M63.8Low76.5Confident94 Ų9472.2 Ų72.246%0.46338%0.381SS..THydrogen-bonded Turntrans-79.2-33.4174.6-68.1-84.8-79.300110.8I62 P63 L64 Q68 T69 M72I62-M66 HydrophobicContact CG2-CB 3.33Å; I62-M66 HydrophobicContact CG2-CG 4.11Å; P63-M66 HydrophobicContact CB-CG 4.47Å; P63-M66 WeakPolarHBondContact O-CA 3.39Å; P63-M66 WeakPolarHBondContact O-CB 3.48Å; P63-M66 PolarHBondContact O-N 2.91Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 3.43Å; M66-Q68 PolarHBondContact O-N 3.43Å; M66-Q68 VanDerWaalsContact O-N 3.09Å; M66-T69 PolarHBondContact O-N 2.8Å; M66-T69 PolarHBondContact O-OG1 2.93Å; M66-T69 VanDerWaalsContact O-OG1 3.1Å; M66-M72 HydrophobicContact CB-SD 3.95Å
67L63.2Low76.9Confident33 Ų3373.7 Ų73.717%0.17339%0.394CS..THydrogen-bonded Turntrans-57.8-19169.9-78.7162.6000112.9P63 L64 T69 M72 M73 A76P63-L67 PolarHBondContact O-N 3.47Å; L64-L67 HydrophobicContact CD2-CD1 3.96Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 2.97Å; L67-T69 PolarHBondContact O-N 3.25Å; L67-T69 VanDerWaalsContact O-N 3.16Å; L67-M72 HydrophobicContact CB-CE 4.36Å; L67-M72 HydrophobicContact CD2-CB 4.33Å; L67-M72 HydrophobicContact CD2-CE 3.54Å; L67-M72 HydrophobicContact CG-CE 3.73Å; L67-M73 VanDerWaalsContact O-CG 3.27Å; L67-M73 WeakPolarHBondContact O-CG 3.35Å; L67-A76 HydrophobicContact CD2-CB 4.16Å
68Q66.1Low77.6Confident156 Ų15672.5 Ų72.573%0.72938%0.381SS*.THydrogen-bonded Turntrans-67.2-11.5177.5-64.7-179.5-1000113.9F65 M66F65-Q68 WeakPolarHBondContact O-CB 3.23Å; M66-Q68 PolarHBondContact O-N 3.43Å; M66-Q68 VanDerWaalsContact O-N 3.09Å
69T76.8Confident78.6Confident71 Ų7167.6 Ų67.644%0.43636%0.356SS..SBendtrans-73.3133.3172.263.50000110.1M66 L67 V71 M72 M73M66-T69 PolarHBondContact O-N 2.8Å; M66-T69 PolarHBondContact O-OG1 2.93Å; M66-T69 VanDerWaalsContact O-OG1 3.1Å; L67-T69 PolarHBondContact O-N 3.25Å; L67-T69 VanDerWaalsContact O-N 3.16Å; T69-V71 PolarHBondContact O-N 3.43Å; T69-V71 VanDerWaalsContact O-N 3.09Å; T69-M72 PolarHBondContact O-N 3.44Å; T69-M72 WeakPolarHBondContact OG1-CB 3.48Å; T69-M72 VanDerWaalsContact OG1-CG 3.24Å; T69-M72 WeakPolarHBondContact OG1-CG 3.38Å; T69-M73 PolarHBondContact O-N 3.19Å
70H79.3Confident79.6Confident148 Ų14873.3 Ų73.369%0.68538%0.377SS*.Hα-helixtrans-52.2-35.2178.8-72.4-74.9000112.9M73 A74H70-M73 PolarHBondContact O-N 3.25Å; H70-A74 PolarHBondContact O-N 3.23Å; H70-A74 VanDerWaalsContact O-N 3.17Å
71V84.2Confident80.8Confident46 Ų4669.3 Ų69.328%0.27936%0.355SS..Hα-helixtrans-55.3-51.7174.4173.10000111.2T69 A74 F75 L127 I130T69-V71 PolarHBondContact O-N 3.43Å; T69-V71 VanDerWaalsContact O-N 3.09Å; V71-A74 PolarHBondContact O-N 3.49Å; V71-F75 HydrophobicContact CG1-CD2 4.18Å; V71-F75 HydrophobicContact CG1-CE2 4.04Å; V71-F75 VanDerWaalsContact O-CD2 3.27Å; V71-F75 WeakPolarHBondContact O-CD2 3.35Å; V71-F75 PolarHBondContact O-N 2.91Å; V71-L127 HydrophobicContact CG1-CD2 3.92Å; V71-I130 HydrophobicContact CB-CD1 3.94Å; V71-I130 HydrophobicContact CB-CG1 4.29Å; V71-I130 HydrophobicContact CG1-CD1 3.83Å; V71-I130 HydrophobicContact CG2-CD1 3.78Å; V71-I130 HydrophobicContact CG2-CG1 3.68Å
72M84.4Confident82Confident23 Ų2362.5 Ų62.511%0.11332%0.319CS..Hα-helixtrans-69.3-38.5-175.8-78.6-160.754.100112.8I62 M66 L67 T69 A74 F75 A76I62-M72 HydrophobicContact CB-CE 3.6Å; I62-M72 HydrophobicContact CD1-CE 3.28Å; I62-M72 HydrophobicContact CD1-SD 4.11Å; I62-M72 HydrophobicContact CG1-CE 3.97Å; I62-M72 HydrophobicContact CG2-CE 3.26Å; I62-M72 HydrophobicContact CG2-SD 3.75Å; M66-M72 HydrophobicContact CB-SD 3.95Å; L67-M72 HydrophobicContact CB-CE 4.36Å; L67-M72 HydrophobicContact CD2-CB 4.33Å; L67-M72 HydrophobicContact CD2-CE 3.54Å; L67-M72 HydrophobicContact CG-CE 3.73Å; T69-M72 PolarHBondContact O-N 3.44Å; T69-M72 WeakPolarHBondContact OG1-CB 3.48Å; T69-M72 VanDerWaalsContact OG1-CG 3.24Å; T69-M72 WeakPolarHBondContact OG1-CG 3.38Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 2.99Å; M72-F75 PolarHBondContact O-N 3.34Å; M72-A76 VanDerWaalsContact O-CB 3.26Å; M72-A76 WeakPolarHBondContact O-CB 3.47Å; M72-A76 PolarHBondContact O-N 3.49Å
73M87.7Confident83.4Confident108 Ų10864.3 Ų64.353%0.53233%0.325SS..Hα-helixtrans-59.7-39.5174.2-73.8-57.5-60.700112.2L67 T69 H70 A76 A77L67-M73 VanDerWaalsContact O-CG 3.27Å; L67-M73 WeakPolarHBondContact O-CG 3.35Å; T69-M73 PolarHBondContact O-N 3.19Å; H70-M73 PolarHBondContact O-N 3.25Å; M73-A76 PolarHBondContact O-N 3.46Å; M73-A77 WeakPolarHBondContact O-CB 3.49Å; M73-A77 PolarHBondContact O-N 3.33Å
74A90.9Very high84.7Confident4 Ų462.8 Ų62.83%0.03331%0.311CS..Hα-helixtrans-64.4-48.4179.700000111.6H70 V71 M72 A76 A77 V78 I130 V133 Q134H70-A74 PolarHBondContact O-N 3.23Å; H70-A74 VanDerWaalsContact O-N 3.17Å; V71-A74 PolarHBondContact O-N 3.49Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 2.99Å; A74-A76 PolarHBondContact O-N 2.9Å; A74-A77 WeakPolarHBondContact O-CB 3.44Å; A74-A77 PolarHBondContact O-N 3.19Å; A74-V78 PolarHBondContact O-N 3.39Å; A74-V78 VanDerWaalsContact O-N 3.1Å; A74-I130 HydrophobicContact CB-CG2 3.96Å; A74-V133 HydrophobicContact CB-CB 4.08Å; A74-V133 HydrophobicContact CB-CG1 3.66Å; A74-Q134 HydrophobicContact CB-CG 3.93Å
75F91.7Very high86.1Confident12 Ų1256 Ų565%0.05328%0.275CS..Hα-helixtrans-68-34176-70.8-68.4000113.2L59 V71 M72 A77 V78 S79 L120 A123 L127 I130 V133L59-F75 HydrophobicContact CD1-CB 4.39Å; L59-F75 HydrophobicContact CD2-CB 4.4Å; V71-F75 HydrophobicContact CG1-CD2 4.18Å; V71-F75 HydrophobicContact CG1-CE2 4.04Å; V71-F75 VanDerWaalsContact O-CD2 3.27Å; V71-F75 WeakPolarHBondContact O-CD2 3.35Å; V71-F75 PolarHBondContact O-N 2.91Å; M72-F75 PolarHBondContact O-N 3.34Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 2.78Å; F75-V78 PolarHBondContact O-N 2.88Å; F75-S79 WeakPolarHBondContact O-CB 3.41Å; F75-S79 PolarHBondContact O-N 2.9Å; F75-L120 HydrophobicContact CB-CD2 4.48Å; F75-L120 HydrophobicContact CD1-CD2 4.24Å; F75-A123 HydrophobicContact CD1-CB 3.92Å; F75-A123 HydrophobicContact CE1-CB 3.44Å; F75-A123 VanDerWaalsContact CE1-CB 3.44Å; F75-A123 HydrophobicContact CE2-CB 4.4Å; F75-A123 HydrophobicContact CZ-CB 3.71Å; F75-A123 WeakPolarHBondContact CZ-O 3.48Å; F75-L127 HydrophobicContact CE2-CD2 4.15Å; F75-I130 HydrophobicContact CE2-CD1 4.25Å; F75-V133 HydrophobicContact CD1-CG1 4.11Å; F75-V133 HydrophobicContact CE1-CG1 4.08Å; F75-V133 HydrophobicContact CE1-CG2 4.19Å; F75-V133 HydrophobicContact CG-CG1 4.5Å; F75-V133 HydrophobicContact CZ-CG1 4.45Å; F75-V133 HydrophobicContact CZ-CG2 4.03Å
76A90.4Very high87.5Confident27 Ų2750 Ų5022%0.22325%0.25CC..Hα-helixtrans-62.2-39.2172.700000111.6L67 M72 M73 A74 S79 Y80L67-A76 HydrophobicContact CD2-CB 4.16Å; M72-A76 VanDerWaalsContact O-CB 3.26Å; M72-A76 WeakPolarHBondContact O-CB 3.47Å; M72-A76 PolarHBondContact O-N 3.49Å; M73-A76 PolarHBondContact O-N 3.46Å; A74-A76 PolarHBondContact O-N 2.9Å; A76-S79 PolarHBondContact O-N 3.39Å; A76-Y80 VanDerWaalsContact O-CB 3.3Å; A76-Y80 WeakPolarHBondContact O-CB 3.08Å; A76-Y80 PolarHBondContact O-N 3.46Å
77A92.8Very high89.1Confident38 Ų3851.5 Ų51.531%0.31425%0.254SS..Hα-helixtrans-62.5-48173.800000111.4M73 A74 F75 S79 Y80 Q81 A137M73-A77 WeakPolarHBondContact O-CB 3.49Å; M73-A77 PolarHBondContact O-N 3.33Å; A74-A77 WeakPolarHBondContact O-CB 3.44Å; A74-A77 PolarHBondContact O-N 3.19Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 2.78Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 2.92Å; A77-Y80 WeakPolarHBondContact O-CB 3.45Å; A77-Y80 PolarHBondContact O-N 2.94Å; A77-Q81 WeakPolarHBondContact O-CG 3.13Å; A77-Q81 PolarHBondContact O-N 3.35Å; A77-A137 HydrophobicContact CB-CB 4.09Å
78V95.7Very high90.8Very high0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-58.5-45175.7177.40000111.4A74 F75 Y80 Q81 A82 A116 M119 L120 V133 F136 A137 L140A74-V78 PolarHBondContact O-N 3.39Å; A74-V78 VanDerWaalsContact O-N 3.1Å; F75-V78 PolarHBondContact O-N 2.88Å; V78-Y80 PolarHBondContact O-N 3.08Å; V78-Q81 PolarHBondContact O-N 3.3Å; V78-A82 PolarHBondContact O-N 2.66Å; V78-A116 HydrophobicContact CG1-CB 3.98Å; V78-M119 HydrophobicContact CG2-SD 4.04Å; V78-L120 HydrophobicContact CB-CD2 4.27Å; V78-L120 HydrophobicContact CG1-CD1 4.32Å; V78-L120 HydrophobicContact CG1-CD2 4.08Å; V78-L120 HydrophobicContact CG1-CG 3.89Å; V78-V133 HydrophobicContact CG2-CG1 3.96Å; V78-F136 HydrophobicContact CG1-CD1 4.48Å; V78-F136 HydrophobicContact CG1-CE1 4.17Å; V78-F136 HydrophobicContact CG2-CD1 4.16Å; V78-A137 HydrophobicContact CG2-CB 3.89Å; V78-L140 HydrophobicContact CG1-CD1 4.01Å
79S94.8Very high92.3Very high4 Ų442.7 Ų42.73%0.02821%0.212CC..Hα-helixtrans-62.7-42.2176.9-170.90000112.3S56 F75 A76 A77 A82 K83S56-S79 WeakPolarHBondContact CB-OG 3.07Å; F75-S79 WeakPolarHBondContact O-CB 3.41Å; F75-S79 PolarHBondContact O-N 2.9Å; A76-S79 PolarHBondContact O-N 3.39Å; A77-S79 VanDerWaalsContact C-N 3.34Å; A77-S79 PolarHBondContact O-N 2.92Å; S79-A82 WeakPolarHBondContact O-CB 3.36Å; S79-A82 PolarHBondContact O-N 2.77Å; S79-K83 WeakPolarHBondContact O-CG 3.49Å; S79-K83 PolarHBondContact O-N 3.44Å
80Y94.1Very high93.2Very high146 Ų14645.2 Ų45.257%0.57321%0.213SC*.Hα-helixtrans-60.5-46.6174.9173.9-98000111.6A76 A77 V78 A82 K83 R84A76-Y80 VanDerWaalsContact O-CB 3.3Å; A76-Y80 WeakPolarHBondContact O-CB 3.08Å; A76-Y80 PolarHBondContact O-N 3.46Å; A77-Y80 WeakPolarHBondContact O-CB 3.45Å; A77-Y80 PolarHBondContact O-N 2.94Å; V78-Y80 PolarHBondContact O-N 3.08Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.01Å; Y80-K83 PolarHBondContact O-N 3.09Å; Y80-K83 VanDerWaalsContact O-N 3.15Å; Y80-R84 PolarHBondContact O-N 3.4Å
81Q97Very high94Very high18 Ų1841.6 Ų41.68%0.08420%0.197CC..Hα-helixtrans-64.5-37.1177.5-62.6-55.9-5.900111.9A77 V78 K83 R84 G85 L140 D141 L144A77-Q81 WeakPolarHBondContact O-CG 3.13Å; A77-Q81 PolarHBondContact O-N 3.35Å; V78-Q81 PolarHBondContact O-N 3.3Å; Q81-K83 PolarHBondContact O-N 3.27Å; Q81-R84 PolarHBondContact O-N 2.86Å; Q81-G85 PolarHBondContact O-N 3.22Å; Q81-L140 HydrophobicContact CB-CB 4.04Å; Q81-L140 HydrophobicContact CB-CD1 4.21Å; Q81-L140 HydrophobicContact CG-CB 4.28Å; Q81-D141 PolarHBondContact NE2-OD1 3.5Å; Q81-L144 HydrophobicContact CB-CD1 3.81Å; Q81-L144 HydrophobicContact CG-CD1 4.41Å; Q81-L144 WeakPolarHBondContact O-CD1 3.47Å; Q81-L144 VanDerWaalsContact OE1-CD1 3.22Å
82A96.9Very high94.6Very high0 Ų039.4 Ų39.40%018%0.183CC..Hα-helixtrans-61.3-43.7171.700000112.2L52 V78 S79 Y80 G85 L86 A116L52-A82 HydrophobicContact CD1-CB 3.64Å; L52-A82 HydrophobicContact CD2-CB 3.84Å; L52-A82 HydrophobicContact CG-CB 4.41Å; V78-A82 PolarHBondContact O-N 2.66Å; S79-A82 WeakPolarHBondContact O-CB 3.36Å; S79-A82 PolarHBondContact O-N 2.77Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.01Å; A82-G85 PolarHBondContact O-N 3.47Å; A82-L86 WeakPolarHBondContact O-CB 3.19Å; A82-L86 PolarHBondContact O-N 3.48Å; A82-A116 HydrophobicContact CB-CB 3.71Å
83K96.3Very high95.1Very high80 Ų8040.7 Ų40.735%0.34819%0.192SC..Hα-helixtrans-64-42.8177.3-71.7176.4-178.1-179.90110.9L52 S56 D60 S79 Y80 Q81 L86 K87L52-K83 HydrophobicContact CD2-CB 4.39Å; L52-K83 HydrophobicContact CD2-CG 3.82Å; L52-K83 HydrophobicContact CG-CG 4.33Å; S56-K83 WeakPolarHBondContact OG-CE 3.46Å; S56-K83 PolarHBondContact OG-NZ 3.39Å; D60-K83 IonicContact OD1-NZ 3.26Å; D60-K83 PolarHBondContact OD1-NZ 2.87Å; D60-K83 IonicContact OD2-NZ 2.59Å; D60-K83 PolarHBondContact OD2-NZ 3.04Å; S79-K83 WeakPolarHBondContact O-CG 3.49Å; S79-K83 PolarHBondContact O-N 3.44Å; Y80-K83 PolarHBondContact O-N 3.09Å; Y80-K83 VanDerWaalsContact O-N 3.15Å; Q81-K83 PolarHBondContact O-N 3.27Å; K83-L86 PolarHBondContact O-N 3.13Å; K83-K87 PolarHBondContact O-N 3.46Å; K83-K87 VanDerWaalsContact O-N 3.14Å
84R97.1Very high95.4Very high31 Ų3140.8 Ų40.812%0.11720%0.199CC..Hα-helixtrans-61.8-50.6173.9175.8174.9164.1-139.89.5111.3Y80 Q81 L86 K87 L88 D141 L144 E148Y80-R84 PolarHBondContact O-N 3.4Å; Q81-R84 PolarHBondContact O-N 2.86Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.03Å; R84-K87 WeakPolarHBondContact O-CA 3.45Å; R84-K87 VanDerWaalsContact O-CB 3.32Å; R84-K87 WeakPolarHBondContact O-CB 3.48Å; R84-K87 PolarHBondContact O-N 2.73Å; R84-K87 VanDerWaalsContact O-N 3.08Å; R84-L88 HydrophobicContact CG-CD1 4.36Å; R84-L88 WeakPolarHBondContact O-CG 3.43Å; R84-L88 PolarHBondContact O-N 3.41Å; R84-D141 IonicContact CZ-OD1 2.99Å; R84-D141 IonicContact NH1-OD1 3.76Å; R84-D141 PolarHBondContact NH1-OD1 3.15Å; R84-L144 HydrophobicContact CB-CD1 4.41Å; R84-L144 HydrophobicContact CG-CD1 4.3Å; R84-E148 IonicContact CZ-OE1 2.76Å; R84-E148 IonicContact CZ-OE2 2.89Å; R84-E148 IonicContact NE-OE1 3.07Å; R84-E148 PolarHBondContact NE-OE1 3.21Å; R84-E148 IonicContact NE-OE2 2.69Å; R84-E148 IonicContact NH2-OE1 3.68Å; R84-E148 PolarHBondContact NH2-OE1 2.77Å; R84-E148 IonicContact NH2-OE2 3.08Å; R84-E148 PolarHBondContact NH2-OE2 3.09Å
85G98.1Very high95.5Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-55.7-44.2176.200000112.4Q81 A82 K87 L88 V89 V113Q81-G85 PolarHBondContact O-N 3.22Å; A82-G85 PolarHBondContact O-N 3.47Å; G85-K87 VanDerWaalsContact C-N 3.31Å; G85-K87 PolarHBondContact O-N 2.97Å; G85-L88 CarbonylContact O-C 3.55Å; G85-L88 WeakPolarHBondContact O-CB 3.43Å; G85-L88 PolarHBondContact O-N 3.13Å; G85-L88 VanDerWaalsContact O-N 3.08Å; G85-V89 WeakPolarHBondContact O-CG2 3.46Å; G85-V89 PolarHBondContact O-N 2.87Å; G85-V113 VanDerWaalsContact C-CG2 3.43Å
86L97.3Very high95.6Very high12 Ų1244.5 Ų44.56%0.06322%0.223CC..Hα-helixtrans-61.4-38.5177.3-177.358.6000112.8I45 V48 S49 L52 A82 K83 R84 V89 R90 V113I45-L86 HydrophobicContact CG2-CD1 4.04Å; V48-L86 HydrophobicContact CG2-CD1 3.87Å; S49-L86 WeakPolarHBondContact OG-CD2 3.41Å; L52-L86 HydrophobicContact CD2-CD2 4.16Å; A82-L86 WeakPolarHBondContact O-CB 3.19Å; A82-L86 PolarHBondContact O-N 3.48Å; K83-L86 PolarHBondContact O-N 3.13Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.03Å; L86-V89 PolarHBondContact O-N 3.36Å; L86-R90 WeakPolarHBondContact O-CG 3.36Å; L86-R90 PolarHBondContact O-N 3.28Å; L86-V113 HydrophobicContact CB-CG2 4.5Å
87K97.4Very high95.6Very high125 Ų12543.7 Ų43.754%0.54322%0.217SC..Hα-helixtrans-61.8-47.3172-177-171.6172.6-156.10110.7K83 R84 G85 V89 R90 E91K83-K87 PolarHBondContact O-N 3.46Å; K83-K87 VanDerWaalsContact O-N 3.14Å; R84-K87 WeakPolarHBondContact O-CA 3.45Å; R84-K87 VanDerWaalsContact O-CB 3.32Å; R84-K87 WeakPolarHBondContact O-CB 3.48Å; R84-K87 PolarHBondContact O-N 2.73Å; R84-K87 VanDerWaalsContact O-N 3.08Å; G85-K87 VanDerWaalsContact C-N 3.31Å; G85-K87 PolarHBondContact O-N 2.97Å; K87-V89 VanDerWaalsContact C-N 3.34Å; K87-V89 PolarHBondContact O-N 2.89Å; K87-R90 WeakPolarHBondContact O-CB 3.45Å; K87-R90 PolarHBondContact O-N 2.76Å; K87-R90 VanDerWaalsContact O-N 3.09Å; K87-E91 WeakPolarHBondContact CE-OE1 3.43Å; K87-E91 IonicContact NZ-OE1 3.7Å; K87-E91 PolarHBondContact O-N 3.05Å
88L97.9Very high95.6Very high4 Ų444.7 Ų44.72%0.02122%0.22CC..Hα-helixtrans-63.5-34.2178.4-64.3179.1000113.1R84 G85 R90 E91 S92 N109 L144 I147 E148 Q151R84-L88 HydrophobicContact CG-CD1 4.36Å; R84-L88 WeakPolarHBondContact O-CG 3.43Å; R84-L88 PolarHBondContact O-N 3.41Å; G85-L88 CarbonylContact O-C 3.55Å; G85-L88 WeakPolarHBondContact O-CB 3.43Å; G85-L88 PolarHBondContact O-N 3.13Å; G85-L88 VanDerWaalsContact O-N 3.08Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.76Å; L88-E91 WeakPolarHBondContact CD2-OE2 3.39Å; L88-E91 PolarHBondContact O-N 3.14Å; L88-S92 WeakPolarHBondContact O-CB 3.09Å; L88-S92 PolarHBondContact O-N 2.81Å; L88-S92 PolarHBondContact O-OG 3.22Å; L88-N109 WeakPolarHBondContact CB-OD1 3.42Å; L88-L144 HydrophobicContact CD1-CB 4.22Å; L88-L144 HydrophobicContact CD1-CD2 3.83Å; L88-I147 HydrophobicContact CD1-CG2 4.38Å; L88-E148 HydrophobicContact CD1-CG 3.59Å; L88-E148 HydrophobicContact CD2-CG 3.49Å; L88-E148 VanDerWaalsContact CD2-CG 3.49Å; L88-E148 HydrophobicContact CG-CG 4.19Å; L88-Q151 PolarHBondContact O-NE2 3.27Å
89V97.4Very high95.5Very high0 Ų050.3 Ų50.30%024%0.241CC..Hα-helixtrans-60.6-46172.3-168.20000109.7I41 I45 G85 L86 K87 E91 S92 V93 N109 L110I41-V89 HydrophobicContact CG2-CG1 4.39Å; I45-V89 HydrophobicContact CD1-CB 4.31Å; I45-V89 HydrophobicContact CD1-CG1 3.44Å; I45-V89 VanDerWaalsContact CD1-CG1 3.44Å; I45-V89 HydrophobicContact CG1-CB 4.23Å; I45-V89 HydrophobicContact CG1-CG1 3.5Å; G85-V89 WeakPolarHBondContact O-CG2 3.46Å; G85-V89 PolarHBondContact O-N 2.87Å; L86-V89 PolarHBondContact O-N 3.36Å; K87-V89 VanDerWaalsContact C-N 3.34Å; K87-V89 PolarHBondContact O-N 2.89Å; V89-E91 VanDerWaalsContact C-N 3.3Å; V89-E91 PolarHBondContact O-N 2.99Å; V89-S92 WeakPolarHBondContact O-CB 3.47Å; V89-S92 PolarHBondContact O-N 3.5Å; V89-S92 VanDerWaalsContact O-N 3.14Å; V89-V93 PolarHBondContact O-N 3.4Å; V89-N109 HydrophobicContact CB-CB 4.17Å; V89-N109 HydrophobicContact CG2-CB 3.31Å; V89-L110 HydrophobicContact CG1-CD2 4.41Å; V89-L110 HydrophobicContact CG1-CG 4.05Å; V89-L110 HydrophobicContact CG2-CD2 4.14Å; V89-L110 HydrophobicContact CG2-CG 4.06Å
90R96.9Very high95.4Very high123 Ų12354 Ų5446%0.46426%0.258SS..Hα-helixtrans-64.9-35-179.5-68.1177.2-176.4142.5-1112.4I45 S49 L86 K87 L88 V93 T94I45-R90 HydrophobicContact CG2-CG 4.25Å; S49-R90 PolarHBondContact OG-NH2 2.84Å; L86-R90 WeakPolarHBondContact O-CG 3.36Å; L86-R90 PolarHBondContact O-N 3.28Å; K87-R90 WeakPolarHBondContact O-CB 3.45Å; K87-R90 PolarHBondContact O-N 2.76Å; K87-R90 VanDerWaalsContact O-N 3.09Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.76Å; R90-V93 WeakPolarHBondContact O-CG2 3.17Å; R90-T94 PolarHBondContact O-OG1 3.44Å; R90-T94 VanDerWaalsContact O-OG1 3.11Å
91E96Very high95.4Very high73 Ų7347.5 Ų47.534%0.34123%0.233SC..Hα-helixtrans-68.8-41.9172.3-69.1173.7171.900110.9K87 L88 V89 V93 T94 L95K87-E91 WeakPolarHBondContact CE-OE1 3.43Å; K87-E91 IonicContact NZ-OE1 3.7Å; K87-E91 PolarHBondContact O-N 3.05Å; L88-E91 WeakPolarHBondContact CD2-OE2 3.39Å; L88-E91 PolarHBondContact O-N 3.14Å; V89-E91 VanDerWaalsContact C-N 3.3Å; V89-E91 PolarHBondContact O-N 2.99Å; E91-V93 PolarHBondContact O-N 2.76Å; E91-T94 CarbonylContact O-C 3.31Å; E91-T94 PolarHBondContact O-N 2.68Å; E91-T94 VanDerWaalsContact O-N 3.13Å; E91-T94 PolarHBondContact O-OG1 2.87Å; E91-T94 VanDerWaalsContact O-OG1 3.11Å; E91-L95 PolarHBondContact O-N 2.98Å
92S95.6Very high95.3Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-58.9-42177.7-600000112.9L88 V89 T94 L95 K102 S106 N109 Q151L88-S92 WeakPolarHBondContact O-CB 3.09Å; L88-S92 PolarHBondContact O-N 2.81Å; L88-S92 PolarHBondContact O-OG 3.22Å; V89-S92 WeakPolarHBondContact O-CB 3.47Å; V89-S92 PolarHBondContact O-N 3.5Å; V89-S92 VanDerWaalsContact O-N 3.14Å; S92-T94 VanDerWaalsContact C-N 3.26Å; S92-T94 PolarHBondContact O-N 3.31Å; S92-L95 WeakPolarHBondContact O-CB 3.46Å; S92-L95 PolarHBondContact O-N 3.34Å; S92-K102 WeakPolarHBondContact O-CB 3.34Å; S92-K102 VanDerWaalsContact O-CD 3.31Å; S92-K102 WeakPolarHBondContact O-CD 3.32Å; S92-K102 VanDerWaalsContact O-CG 3.24Å; S92-K102 WeakPolarHBondContact O-CG 3.4Å; S92-S106 WeakPolarHBondContact CB-OG 3.38Å; S92-N109 PolarHBondContact OG-ND2 3.14Å; S92-Q151 PolarHBondContact OG-NE2 3.43Å
93V94.7Very high95.2Very high49 Ų4949.3 Ų49.330%0.29724%0.241SC..Hα-helixtrans-68.5-26.4-179.8-61.10000112.7I41 I45 V89 R90 E91 K102 S106I41-V93 HydrophobicContact CG2-CG1 3.77Å; I45-V93 HydrophobicContact CD1-CG1 3.96Å; V89-V93 PolarHBondContact O-N 3.4Å; R90-V93 WeakPolarHBondContact O-CG2 3.17Å; E91-V93 PolarHBondContact O-N 2.76Å; V93-K102 VanDerWaalsContact O-CD 3.31Å; V93-K102 WeakPolarHBondContact O-CD 3.11Å; V93-S106 WeakPolarHBondContact CG1-OG 3.37Å
94T93.9Very high95.2Very high111 Ų11148.5 Ų48.568%0.68124%0.236SC*.Hα-helixtrans-97.6-7.8179.155.70000113.7R90 E91 S92R90-T94 PolarHBondContact O-OG1 3.44Å; R90-T94 VanDerWaalsContact O-OG1 3.11Å; E91-T94 CarbonylContact O-C 3.31Å; E91-T94 PolarHBondContact O-N 2.68Å; E91-T94 VanDerWaalsContact O-N 3.13Å; E91-T94 PolarHBondContact O-OG1 2.87Å; E91-T94 VanDerWaalsContact O-OG1 3.11Å; S92-T94 VanDerWaalsContact C-N 3.26Å; S92-T94 PolarHBondContact O-N 3.31Å
95L93.8Very high95.2Very high11 Ų1147 Ų476%0.05823%0.23CC..SBendtrans-53.9136.9-179.8-168.174.1000111.5E91 S92 A97 K102 M105 W154 L155E91-L95 PolarHBondContact O-N 2.98Å; S92-L95 WeakPolarHBondContact O-CB 3.46Å; S92-L95 PolarHBondContact O-N 3.34Å; L95-A97 HydrophobicContact CD2-CB 3.85Å; L95-A97 HydrophobicContact CG-CB 4.13Å; L95-A97 PolarHBondContact O-N 2.65Å; L95-K102 HydrophobicContact CB-CD 4.43Å; L95-K102 HydrophobicContact CB-CG 4.21Å; L95-K102 WeakPolarHBondContact O-CD 3.36Å; L95-K102 WeakPolarHBondContact O-CE 3.49Å; L95-K102 PolarHBondContact O-NZ 2.92Å; L95-M105 HydrophobicContact CD2-CE 4.47Å; L95-M105 HydrophobicContact CD2-SD 3.7Å; L95-W154 HydrophobicContact CD2-CB 4.13Å; L95-L155 HydrophobicContact CD1-CD1 4.37Å; L95-L155 HydrophobicContact CD1-CD2 3.85Å; L95-L155 HydrophobicContact CD1-CG 3.86Å
96P93.1Very high95.1Very high82 Ų8247 Ų4753%0.53223%0.23SC..SBendtrans-7545.8177.626.9-29.7000113.4L155 I158P96-L155 HydrophobicContact CG-CD2 4.02Å; P96-I158 HydrophobicContact CB-CD1 3.76Å; P96-I158 HydrophobicContact CG-CD1 3.52Å; P96-I158 WeakPolarHBondContact O-CD1 3.17Å
97A91.5Very high95.1Very high11 Ų1146.4 Ų46.49%0.09123%0.227CC..SBendtrans-109.8164.4178.600000111.9L95 V101 K102 W154L95-A97 HydrophobicContact CD2-CB 3.85Å; L95-A97 HydrophobicContact CG-CB 4.13Å; L95-A97 PolarHBondContact O-N 2.65Å; A97-V101 HydrophobicContact CB-CB 4.07Å; A97-V101 HydrophobicContact CB-CG1 3.96Å; A97-K102 HydrophobicContact CB-CG 4.21Å; A97-K102 VanDerWaalsContact O-CE 3.27Å; A97-K102 WeakPolarHBondContact O-CE 3.16Å; A97-W154 HydrophobicContact CB-CD2 4.21Å; A97-W154 HydrophobicContact CB-CE3 4.19Å; A97-W154 HydrophobicContact CB-CG 4.48Å
98P92.2Very high95.1Very high58 Ų5841.5 Ų41.538%0.37721%0.207SC..  trans-53.2148.1169.6-25.835000112.2H100 V101 K102P98-H100 VanDerWaalsContact C-N 3.31Å; P98-H100 VanDerWaalsContact CB-CE1 3.41Å; P98-H100 WeakPolarHBondContact CB-CE1 3.35Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-V101 HydrophobicContact CB-CG2 4.17Å; P98-V101 HydrophobicContact CG-CG2 4.31Å; P98-V101 WeakPolarHBondContact O-CB 3.31Å; P98-V101 PolarHBondContact O-N 3.11Å; P98-K102 PolarHBondContact O-N 2.91Å; P98-K102 VanDerWaalsContact O-N 3.12Å
99R92.9Very high95.1Very high119 Ų11941.3 Ų41.345%0.44921%0.206SC..Hα-helixtrans-57.3-40.6-172.4-172178.4-72.6-163-4.3113.2Q34 S35 V101 K102 N103Q34-R99 HydrophobicContact CB-CG 4.11Å; S35-R99 PolarHBondContact OG-NH1 2.66Å; R99-V101 VanDerWaalsContact C-N 3.3Å; R99-V101 PolarHBondContact O-N 3.5Å; R99-K102 PolarHBondContact O-N 3.28Å; R99-N103 WeakPolarHBondContact O-CB 3.37Å; R99-N103 PolarHBondContact O-N 3.2Å; R99-N103 PolarHBondContact O-ND2 3.32Å
100H93.5Very high95.1Very high82 Ų8241.3 Ų41.338%0.3821%0.206SC..Hα-helixtrans-62.9-36177.761.2-96.9000112.7C26 P98 R104C26-H100 WeakPolarHBondContact O-CB 2.99Å; P98-H100 VanDerWaalsContact C-N 3.31Å; P98-H100 VanDerWaalsContact CB-CE1 3.41Å; P98-H100 WeakPolarHBondContact CB-CE1 3.35Å; P98-H100 PolarHBondContact O-N 2.88Å; H100-R104 WeakPolarHBondContact O-CB 3.26Å; H100-R104 PolarHBondContact O-N 2.89Å
101V93.4Very high95.2Very high8 Ų836.4 Ų36.45%0.04819%0.188CC..Hα-helixtrans-66.3-51.3176.3178.50000110.1A97 P98 R99 N103 R104 M105 W154A97-V101 HydrophobicContact CB-CB 4.07Å; A97-V101 HydrophobicContact CB-CG1 3.96Å; P98-V101 HydrophobicContact CB-CG2 4.17Å; P98-V101 HydrophobicContact CG-CG2 4.31Å; P98-V101 WeakPolarHBondContact O-CB 3.31Å; P98-V101 PolarHBondContact O-N 3.11Å; R99-V101 VanDerWaalsContact C-N 3.3Å; R99-V101 PolarHBondContact O-N 3.5Å; V101-N103 VanDerWaalsContact C-N 3.3Å; V101-N103 PolarHBondContact O-N 2.98Å; V101-R104 PolarHBondContact O-N 3.13Å; V101-M105 HydrophobicContact CG1-CE 3.79Å; V101-M105 HydrophobicContact CG1-SD 4.19Å; V101-M105 WeakPolarHBondContact O-CG 3.47Å; V101-M105 PolarHBondContact O-N 3.35Å; V101-W154 HydrophobicContact CB-CZ2 4.41Å; V101-W154 HydrophobicContact CG1-CD2 4.2Å; V101-W154 HydrophobicContact CG1-CG 4.38Å; V101-W154 HydrophobicContact CG1-CZ2 3.96Å; V101-W154 HydrophobicContact CG2-CH2 4.16Å; V101-W154 HydrophobicContact CG2-CZ2 3.63Å
102K95.5Very high95.3Very high51 Ų5133.5 Ų33.522%0.22218%0.176CC..Hα-helixtrans-55.3-47.3176.8-72.3-162.5-100.3-1620112.2S92 V93 L95 A97 P98 R99 M105 S106S92-K102 WeakPolarHBondContact O-CB 3.34Å; S92-K102 VanDerWaalsContact O-CD 3.31Å; S92-K102 WeakPolarHBondContact O-CD 3.32Å; S92-K102 VanDerWaalsContact O-CG 3.24Å; S92-K102 WeakPolarHBondContact O-CG 3.4Å; V93-K102 VanDerWaalsContact O-CD 3.31Å; V93-K102 WeakPolarHBondContact O-CD 3.11Å; L95-K102 HydrophobicContact CB-CD 4.43Å; L95-K102 HydrophobicContact CB-CG 4.21Å; L95-K102 WeakPolarHBondContact O-CD 3.36Å; L95-K102 WeakPolarHBondContact O-CE 3.49Å; L95-K102 PolarHBondContact O-NZ 2.92Å; A97-K102 HydrophobicContact CB-CG 4.21Å; A97-K102 VanDerWaalsContact O-CE 3.27Å; A97-K102 WeakPolarHBondContact O-CE 3.16Å; P98-K102 PolarHBondContact O-N 2.91Å; P98-K102 VanDerWaalsContact O-N 3.12Å; R99-K102 PolarHBondContact O-N 3.28Å; K102-M105 PolarHBondContact O-N 3.41Å; K102-S106 VanDerWaalsContact O-CB 3.27Å; K102-S106 WeakPolarHBondContact O-CB 3.47Å; K102-S106 PolarHBondContact O-N 3.15Å; K102-S106 PolarHBondContact O-OG 2.6Å
103N95.5Very high95.4Very high6 Ų633.5 Ų33.53%0.03218%0.176CC..Hα-helixtrans-62.3-47.5-179.2-74.9-9.6000110.6Q34 I37 S38 I41 R99 V101 M105 S106 V107Q34-N103 PolarHBondContact O-ND2 3.12Å; Q34-N103 VanDerWaalsContact O-ND2 3.09Å; Q34-N103 PolarHBondContact OE1-ND2 3.37Å; I37-N103 HydrophobicContact CG2-CB 3.83Å; S38-N103 PolarHBondContact OG-ND2 3.11Å; S38-N103 PolarHBondContact OG-OD1 3.11Å; I41-N103 HydrophobicContact CD1-CB 3.87Å; I41-N103 WeakPolarHBondContact CD1-OD1 3.43Å; R99-N103 WeakPolarHBondContact O-CB 3.37Å; R99-N103 PolarHBondContact O-N 3.2Å; R99-N103 PolarHBondContact O-ND2 3.32Å; V101-N103 VanDerWaalsContact C-N 3.3Å; V101-N103 PolarHBondContact O-N 2.98Å; N103-M105 PolarHBondContact O-N 3.38Å; N103-S106 PolarHBondContact O-N 3.49Å; N103-V107 VanDerWaalsContact O-CG2 3.28Å; N103-V107 WeakPolarHBondContact O-CG2 3.24Å; N103-V107 PolarHBondContact O-N 2.89Å
104R95.8Very high95.6Very high62 Ų6233.3 Ų33.323%0.23418%0.175CC..Hα-helixtrans-55.8-53.1176.6-175.1-174.267.5123.710111.8C26 H100 V101 S106 V107 D108 E150C26-R104 HydrophobicContact CB-CB 4.04Å; H100-R104 WeakPolarHBondContact O-CB 3.26Å; H100-R104 PolarHBondContact O-N 2.89Å; V101-R104 PolarHBondContact O-N 3.13Å; R104-S106 VanDerWaalsContact C-N 3.31Å; R104-S106 PolarHBondContact O-N 2.85Å; R104-V107 PolarHBondContact O-N 3.36Å; R104-D108 PolarHBondContact O-N 3.25Å; R104-E150 IonicContact CZ-OE1 2.81Å; R104-E150 IonicContact CZ-OE2 3.58Å; R104-E150 IonicContact NH1-OE1 2.63Å; R104-E150 IonicContact NH1-OE2 3.31Å; R104-E150 VanDerWaalsContact NH2-CD 3.35Å; R104-E150 IonicContact NH2-OE1 3.1Å; R104-E150 PolarHBondContact NH2-OE1 3.27Å; R104-E150 IonicContact NH2-OE2 2.66Å; R104-E150 PolarHBondContact NH2-OE2 3.4Å
105M96.2Very high95.7Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-61-40.1178.8-68.7178.3174.700112.4L95 V101 K102 N103 V107 D108 N109 E150 Q151 W154L95-M105 HydrophobicContact CD2-CE 4.47Å; L95-M105 HydrophobicContact CD2-SD 3.7Å; V101-M105 HydrophobicContact CG1-CE 3.79Å; V101-M105 HydrophobicContact CG1-SD 4.19Å; V101-M105 WeakPolarHBondContact O-CG 3.47Å; V101-M105 PolarHBondContact O-N 3.35Å; K102-M105 PolarHBondContact O-N 3.41Å; N103-M105 PolarHBondContact O-N 3.38Å; M105-V107 VanDerWaalsContact C-N 3.34Å; M105-D108 PolarHBondContact O-N 3.46Å; M105-N109 PolarHBondContact O-N 2.89Å; M105-N109 PolarHBondContact O-ND2 2.67Å; M105-E150 HydrophobicContact CE-CB 3.57Å; M105-Q151 HydrophobicContact SD-CG 3.92Å; M105-W154 HydrophobicContact CE-CG 4.24Å
106S97.8Very high95.9Very high0 Ų031.1 Ų31.10%016%0.159CC..Hα-helixtrans-64.7-40.7177.8-570000111.3S92 V93 K102 N103 R104 N109 L110S92-S106 WeakPolarHBondContact CB-OG 3.38Å; V93-S106 WeakPolarHBondContact CG1-OG 3.37Å; K102-S106 VanDerWaalsContact O-CB 3.27Å; K102-S106 WeakPolarHBondContact O-CB 3.47Å; K102-S106 PolarHBondContact O-N 3.15Å; K102-S106 PolarHBondContact O-OG 2.6Å; N103-S106 PolarHBondContact O-N 3.49Å; R104-S106 VanDerWaalsContact C-N 3.31Å; R104-S106 PolarHBondContact O-N 2.85Å; S106-N109 PolarHBondContact O-N 3.42Å; S106-L110 WeakPolarHBondContact O-CB 3.06Å; S106-L110 VanDerWaalsContact O-CG 3.31Å; S106-L110 WeakPolarHBondContact O-CG 3.44Å; S106-L110 PolarHBondContact O-N 3.04Å
107V97.2Very high96.1Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-67.9-43.8176.41750000111.2L19 L22 K23 I41 N103 R104 M105 N109 L110 I111L19-V107 HydrophobicContact CB-CG1 4.49Å; L19-V107 HydrophobicContact CD2-CG1 4.49Å; L19-V107 VanDerWaalsContact O-CG1 3.26Å; L19-V107 WeakPolarHBondContact O-CG1 3.24Å; L22-V107 HydrophobicContact CB-CG1 4.49Å; L22-V107 HydrophobicContact CB-CG2 4.47Å; L22-V107 HydrophobicContact CD2-CG2 3.71Å; L22-V107 HydrophobicContact CG-CG2 3.94Å; K23-V107 HydrophobicContact CB-CG1 3.74Å; I41-V107 HydrophobicContact CD1-CG2 3.99Å; I41-V107 HydrophobicContact CG1-CG2 4Å; N103-V107 VanDerWaalsContact O-CG2 3.28Å; N103-V107 WeakPolarHBondContact O-CG2 3.24Å; N103-V107 PolarHBondContact O-N 2.89Å; R104-V107 PolarHBondContact O-N 3.36Å; M105-V107 VanDerWaalsContact C-N 3.34Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 3.28Å; V107-L110 PolarHBondContact O-N 2.89Å; V107-L110 VanDerWaalsContact O-N 3.11Å; V107-I111 HydrophobicContact CG1-CD1 4.12Å; V107-I111 WeakPolarHBondContact O-CG1 3.31Å; V107-I111 PolarHBondContact O-N 3.39Å
108D97.2Very high96.3Very high21 Ų2130.3 Ų30.311%0.11215%0.151CC..Hα-helixtrans-56.4-46.5174.9-74-33.3000111.1K23 R104 M105 I111 V112 I147K23-D108 VanDerWaalsContact CD-OD1 3.31Å; K23-D108 WeakPolarHBondContact CD-OD1 3.19Å; K23-D108 WeakPolarHBondContact CE-OD1 3.36Å; K23-D108 IonicContact NZ-OD1 3.84Å; K23-D108 PolarHBondContact NZ-OD1 3.28Å; R104-D108 PolarHBondContact O-N 3.25Å; M105-D108 PolarHBondContact O-N 3.46Å; D108-I111 WeakPolarHBondContact O-CB 3.42Å; D108-I111 PolarHBondContact O-N 3.08Å; D108-V112 WeakPolarHBondContact O-CG2 3.27Å; D108-V112 PolarHBondContact O-N 3Å; D108-I147 HydrophobicContact CB-CD1 4.06Å; D108-I147 HydrophobicContact CB-CG1 4.41Å
109N97.4Very high96.4Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-62.3-43.6173.8-80.7-70.6000112.7L88 V89 S92 M105 S106 V107 I111 V112 V113 I147L88-N109 WeakPolarHBondContact CB-OD1 3.42Å; V89-N109 HydrophobicContact CB-CB 4.17Å; V89-N109 HydrophobicContact CG2-CB 3.31Å; S92-N109 PolarHBondContact OG-ND2 3.14Å; M105-N109 PolarHBondContact O-N 2.89Å; M105-N109 PolarHBondContact O-ND2 2.67Å; S106-N109 PolarHBondContact O-N 3.42Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 3.28Å; N109-I111 PolarHBondContact O-N 3.11Å; N109-V112 PolarHBondContact O-N 3.47Å; N109-V113 WeakPolarHBondContact O-CG2 3.31Å; N109-V113 PolarHBondContact O-N 3.38Å; N109-I147 HydrophobicContact CB-CD1 4.3Å; N109-I147 WeakPolarHBondContact ND2-CG2 3.22Å; N109-I147 WeakPolarHBondContact OD1-CD1 3.24Å; N109-I147 WeakPolarHBondContact OD1-CG2 3.43Å
110L98.1Very high96.5Very high1 Ų123.3 Ų23.31%0.00512%0.119CC..Hα-helixtrans-62-33.5179.1-80171.4000111.8L19 I41 R44 I45 V48 V89 S106 V107 T114L19-L110 HydrophobicContact CD1-CB 4.17Å; L19-L110 HydrophobicContact CD2-CB 3.89Å; L19-L110 HydrophobicContact CD2-CD1 4.26Å; I41-L110 HydrophobicContact CB-CD1 4.42Å; I41-L110 HydrophobicContact CG1-CD1 4.33Å; I41-L110 HydrophobicContact CG2-CD1 4.14Å; R44-L110 HydrophobicContact CB-CD1 3.99Å; R44-L110 HydrophobicContact CB-CD2 4.27Å; I45-L110 HydrophobicContact CG1-CD2 4.22Å; V48-L110 HydrophobicContact CG2-CD2 4.03Å; V89-L110 HydrophobicContact CG1-CD2 4.41Å; V89-L110 HydrophobicContact CG1-CG 4.05Å; V89-L110 HydrophobicContact CG2-CD2 4.14Å; V89-L110 HydrophobicContact CG2-CG 4.06Å; S106-L110 WeakPolarHBondContact O-CB 3.06Å; S106-L110 VanDerWaalsContact O-CG 3.31Å; S106-L110 WeakPolarHBondContact O-CG 3.44Å; S106-L110 PolarHBondContact O-N 3.04Å; V107-L110 PolarHBondContact O-N 2.89Å; V107-L110 VanDerWaalsContact O-N 3.11Å; L110-T114 WeakPolarHBondContact O-CB 3.46Å; L110-T114 PolarHBondContact O-N 3.27Å; L110-T114 PolarHBondContact O-OG1 3.18Å
111I98Very high96.5Very high19 Ų1925.9 Ų25.910%0.09713%0.126CC..Hα-helixtrans-62.1-51.3173.9-69.1162.9000109.5L19 K23 V107 D108 N109 V113 T114 N115L19-I111 HydrophobicContact CB-CD1 4.27Å; L19-I111 HydrophobicContact CB-CG1 3.56Å; L19-I111 HydrophobicContact CD1-CG1 4Å; L19-I111 HydrophobicContact CG-CG1 4.36Å; K23-I111 HydrophobicContact CD-CD1 4.04Å; V107-I111 HydrophobicContact CG1-CD1 4.12Å; V107-I111 WeakPolarHBondContact O-CG1 3.31Å; V107-I111 PolarHBondContact O-N 3.39Å; D108-I111 WeakPolarHBondContact O-CB 3.42Å; D108-I111 PolarHBondContact O-N 3.08Å; N109-I111 PolarHBondContact O-N 3.11Å; I111-V113 PolarHBondContact O-N 3.18Å; I111-T114 PolarHBondContact O-N 3.18Å; I111-N115 WeakPolarHBondContact O-CB 3.47Å; I111-N115 VanDerWaalsContact O-CG 3.22Å; I111-N115 PolarHBondContact O-N 2.86Å; I111-N115 PolarHBondContact O-OD1 3.47Å
112V98.1Very high96.4Very high13 Ų1327.3 Ų27.38%0.07914%0.136CC..Hα-helixtrans-57.5-49.1178.4178.70000111.3D108 N109 T114 N115 A116 L140 A143 L144 I147D108-V112 WeakPolarHBondContact O-CG2 3.27Å; D108-V112 PolarHBondContact O-N 3Å; N109-V112 PolarHBondContact O-N 3.47Å; V112-T114 VanDerWaalsContact C-N 3.35Å; V112-T114 PolarHBondContact O-N 3.27Å; V112-N115 PolarHBondContact O-N 2.97Å; V112-A116 PolarHBondContact O-N 2.88Å; V112-L140 HydrophobicContact CG1-CB 4.39Å; V112-L140 HydrophobicContact CG1-CD2 3.59Å; V112-A143 HydrophobicContact CG2-CB 3.75Å; V112-L144 HydrophobicContact CB-CD2 4.37Å; V112-L144 HydrophobicContact CG1-CD1 4.31Å; V112-L144 HydrophobicContact CG1-CD2 3.79Å; V112-L144 HydrophobicContact CG1-CG 3.86Å; V112-I147 HydrophobicContact CG2-CD1 4.38Å
113V98.1Very high96.1Very high0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-62.1-42.1178.8174.30000111.4V48 G85 L86 N109 I111 A116 I117V48-V113 HydrophobicContact CB-CG1 4.17Å; V48-V113 HydrophobicContact CG2-CG1 4.06Å; G85-V113 VanDerWaalsContact C-CG2 3.43Å; L86-V113 HydrophobicContact CB-CG2 4.5Å; N109-V113 WeakPolarHBondContact O-CG2 3.31Å; N109-V113 PolarHBondContact O-N 3.38Å; I111-V113 PolarHBondContact O-N 3.18Å; V113-A116 PolarHBondContact O-N 3.37Å; V113-I117 HydrophobicContact CG1-CD1 3.86Å; V113-I117 HydrophobicContact CG1-CG1 4.46Å; V113-I117 WeakPolarHBondContact O-CB 3.33Å; V113-I117 WeakPolarHBondContact O-CG1 3.26Å; V113-I117 PolarHBondContact O-N 2.87Å
114T97.5Very high95.8Very high45 Ų4533 Ų3328%0.27617%0.168SC..Hα-helixtrans-66.1-40.3179.9-61.40000111.6L19 L110 I111 V112 I117 T118L19-T114 HydrophobicContact CD1-CG2 4.32Å; L19-T114 WeakPolarHBondContact CD1-OG1 3.28Å; L110-T114 WeakPolarHBondContact O-CB 3.46Å; L110-T114 PolarHBondContact O-N 3.27Å; L110-T114 PolarHBondContact O-OG1 3.18Å; I111-T114 PolarHBondContact O-N 3.18Å; V112-T114 VanDerWaalsContact C-N 3.35Å; V112-T114 PolarHBondContact O-N 3.27Å; T114-I117 PolarHBondContact O-N 3.38Å; T114-T118 WeakPolarHBondContact O-CB 3.44Å; T114-T118 PolarHBondContact O-N 2.87Å; T114-T118 PolarHBondContact O-OG1 3.37Å
115N97.6Very high95.6Very high75 Ų7535.5 Ų35.540%0.40119%0.185SC..Hα-helixtrans-63-45.4174.8-69.7-10.6000110.5I111 V112 I117 T118 M119 F136I111-N115 WeakPolarHBondContact O-CB 3.47Å; I111-N115 VanDerWaalsContact O-CG 3.22Å; I111-N115 PolarHBondContact O-N 2.86Å; I111-N115 PolarHBondContact O-OD1 3.47Å; V112-N115 PolarHBondContact O-N 2.97Å; N115-I117 PolarHBondContact O-N 2.87Å; N115-T118 WeakPolarHBondContact O-CB 3.23Å; N115-T118 PolarHBondContact O-N 3.23Å; N115-M119 PolarHBondContact O-N 3.23Å; N115-F136 HydrophobicContact CB-CE2 4.35Å; N115-F136 HydrophobicContact CB-CZ 3.94Å
116A97.5Very high95.2Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-60.3-46.7176.700000112.4V78 A82 V112 V113 T118 M119 L120 L140V78-A116 HydrophobicContact CG1-CB 3.98Å; A82-A116 HydrophobicContact CB-CB 3.71Å; V112-A116 PolarHBondContact O-N 2.88Å; V113-A116 PolarHBondContact O-N 3.37Å; A116-T118 VanDerWaalsContact C-N 3.29Å; A116-T118 PolarHBondContact O-N 3.47Å; A116-M119 PolarHBondContact O-N 3.33Å; A116-L120 VanDerWaalsContact O-CG 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.38Å; A116-L120 PolarHBondContact O-N 2.68Å; A116-L140 HydrophobicContact CB-CD1 3.68Å; A116-L140 HydrophobicContact CB-CD2 4.3Å
117I96.8Very high94.7Very high2 Ų241.9 Ų41.91%0.0122%0.215CC..Hα-helixtrans-59-40.8174.7-74.8171.7000111.4V48 E51 L52 L55 V113 T114 N115 L120 R121V48-I117 HydrophobicContact CB-CD1 3.7Å; V48-I117 HydrophobicContact CG1-CD1 4.15Å; E51-I117 HydrophobicContact CB-CD1 4.38Å; L52-I117 HydrophobicContact CB-CD1 4.25Å; L52-I117 HydrophobicContact CB-CG1 4.48Å; L52-I117 HydrophobicContact CD1-CG1 4.48Å; L55-I117 HydrophobicContact CD1-CB 4.45Å; L55-I117 HydrophobicContact CD1-CG2 3.79Å; V113-I117 HydrophobicContact CG1-CD1 3.86Å; V113-I117 HydrophobicContact CG1-CG1 4.46Å; V113-I117 WeakPolarHBondContact O-CB 3.33Å; V113-I117 WeakPolarHBondContact O-CG1 3.26Å; V113-I117 PolarHBondContact O-N 2.87Å; T114-I117 PolarHBondContact O-N 3.38Å; N115-I117 PolarHBondContact O-N 2.87Å; I117-L120 PolarHBondContact O-N 2.82Å; I117-R121 HydrophobicContact CG2-CG 4.43Å; I117-R121 WeakPolarHBondContact O-CB 3.46Å; I117-R121 WeakPolarHBondContact O-CG 3.36Å; I117-R121 PolarHBondContact O-N 3.32Å
118T95.8Very high94.3Very high74 Ų7450.6 Ų50.645%0.45426%0.255SS..Hα-helixtrans-62.5-45.6178.8-60.30000111T114 N115 A116 R121 S122T114-T118 WeakPolarHBondContact O-CB 3.44Å; T114-T118 PolarHBondContact O-N 2.87Å; T114-T118 PolarHBondContact O-OG1 3.37Å; N115-T118 WeakPolarHBondContact O-CB 3.23Å; N115-T118 PolarHBondContact O-N 3.23Å; A116-T118 VanDerWaalsContact C-N 3.29Å; A116-T118 PolarHBondContact O-N 3.47Å; T118-R121 PolarHBondContact O-N 2.74Å; T118-S122 PolarHBondContact O-N 3.37Å
119M95Very high94Very high14 Ų1455.3 Ų55.37%0.06927%0.271CS..Hα-helixtrans-61.5-45.2174.2178.3168.9-77.200111.8V78 N115 A116 R121 S122 A123 Y126 V133 F136V78-M119 HydrophobicContact CG2-SD 4.04Å; N115-M119 PolarHBondContact O-N 3.23Å; A116-M119 PolarHBondContact O-N 3.33Å; M119-R121 VanDerWaalsContact C-N 3.32Å; M119-R121 PolarHBondContact O-N 3.12Å; M119-S122 CarbonylContact O-C 3.5Å; M119-S122 VanDerWaalsContact O-C 3.31Å; M119-S122 PolarHBondContact O-N 3.23Å; M119-S122 VanDerWaalsContact O-N 3.08Å; M119-A123 PolarHBondContact O-N 3.21Å; M119-Y126 HydrophobicContact CE-CD1 4.49Å; M119-Y126 HydrophobicContact CE-CE1 4.26Å; M119-Y126 HydrophobicContact CG-CD2 4.35Å; M119-Y126 HydrophobicContact CG-CE2 4.43Å; M119-V133 HydrophobicContact SD-CB 4.33Å; M119-V133 HydrophobicContact SD-CG1 3.91Å; M119-V133 HydrophobicContact SD-CG2 4.29Å; M119-F136 HydrophobicContact CB-CD1 4.22Å; M119-F136 HydrophobicContact CB-CE1 3.68Å; M119-F136 HydrophobicContact CB-CZ 4.27Å; M119-F136 HydrophobicContact CE-CB 3.55Å; M119-F136 HydrophobicContact CE-CD1 3.36Å; M119-F136 HydrophobicContact CE-CD2 4.06Å; M119-F136 HydrophobicContact CE-CE1 3.93Å; M119-F136 HydrophobicContact CE-CG 3.38Å; M119-F136 HydrophobicContact CG-CD1 4.31Å; M119-F136 HydrophobicContact CG-CE1 4.25Å; M119-F136 HydrophobicContact SD-CB 4.09Å; M119-F136 HydrophobicContact SD-CD1 3.16Å; M119-F136 WeakPolarHBondContact SD-CD1 3.48Å; M119-F136 HydrophobicContact SD-CE1 3.67Å; M119-F136 HydrophobicContact SD-CG 3.83Å
120L94Very high93.7Very high16 Ų1656.6 Ų56.68%0.08428%0.278CS..Hα-helixtrans-61.9-38.5179.4-69.3168.7000112.5L52 L55 L59 F75 V78 A116 I117 S122 A123L52-L120 HydrophobicContact CD1-CD1 4.19Å; L55-L120 HydrophobicContact CD1-CB 4.21Å; L59-L120 HydrophobicContact CD1-CD2 4.47Å; F75-L120 HydrophobicContact CB-CD2 4.48Å; F75-L120 HydrophobicContact CD1-CD2 4.24Å; V78-L120 HydrophobicContact CB-CD2 4.27Å; V78-L120 HydrophobicContact CG1-CD1 4.32Å; V78-L120 HydrophobicContact CG1-CD2 4.08Å; V78-L120 HydrophobicContact CG1-CG 3.89Å; A116-L120 VanDerWaalsContact O-CG 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.38Å; A116-L120 PolarHBondContact O-N 2.68Å; I117-L120 PolarHBondContact O-N 2.82Å; L120-S122 PolarHBondContact O-N 3.09Å; L120-A123 VanDerWaalsContact O-CB 3.32Å; L120-A123 WeakPolarHBondContact O-CB 3.48Å; L120-A123 PolarHBondContact O-N 2.98Å
121R93Very high93.5Very high136 Ų13663.7 Ų63.751%0.51331%0.311SS..Hα-helixtrans-61.3-34.4174-80.3175.8160154.3-4.6112.6E51 L55 I117 T118 M119E51-R121 IonicContact OE1-CZ 3.55Å; E51-R121 IonicContact OE1-NH1 3.32Å; E51-R121 IonicContact OE1-NH2 3.86Å; E51-R121 PolarHBondContact OE1-NH2 2.97Å; E51-R121 IonicContact OE2-CZ 3.95Å; E51-R121 VanDerWaalsContact OE2-CZ 3.26Å; E51-R121 IonicContact OE2-NH1 2.68Å; E51-R121 PolarHBondContact OE2-NH1 3.37Å; E51-R121 VanDerWaalsContact OE2-NH1 3.14Å; E51-R121 IonicContact OE2-NH2 3.55Å; E51-R121 PolarHBondContact OE2-NH2 3.09Å; L55-R121 HydrophobicContact CD1-CG 3.87Å; L55-R121 HydrophobicContact CD2-CG 4.11Å; I117-R121 HydrophobicContact CG2-CG 4.43Å; I117-R121 WeakPolarHBondContact O-CB 3.46Å; I117-R121 WeakPolarHBondContact O-CG 3.36Å; I117-R121 PolarHBondContact O-N 3.32Å; T118-R121 PolarHBondContact O-N 2.74Å; M119-R121 VanDerWaalsContact C-N 3.32Å; M119-R121 PolarHBondContact O-N 3.12Å
122S92.3Very high93.4Very high39 Ų3966.2 Ų66.227%0.27332%0.323SS..THydrogen-bonded Turntrans-100.319-178.4-64.70000112.7T118 M119 L120 E124 L125 Y126T118-S122 PolarHBondContact O-N 3.37Å; M119-S122 CarbonylContact O-C 3.5Å; M119-S122 VanDerWaalsContact O-C 3.31Å; M119-S122 PolarHBondContact O-N 3.23Å; M119-S122 VanDerWaalsContact O-N 3.08Å; L120-S122 PolarHBondContact O-N 3.09Å; S122-E124 PolarHBondContact O-N 3.36Å; S122-L125 WeakPolarHBondContact O-CB 3.36Å; S122-L125 PolarHBondContact O-N 2.8Å; S122-Y126 VanDerWaalsContact O-CD2 3.27Å; S122-Y126 WeakPolarHBondContact O-CD2 3.45Å
123A90Very high93.2Very high25 Ų2565.6 Ų65.621%0.20732%0.319CS..Hα-helixtrans-53-35.7-172.800000113.6F75 M119 L120 L125 Y126 L127F75-A123 HydrophobicContact CD1-CB 3.92Å; F75-A123 HydrophobicContact CE1-CB 3.44Å; F75-A123 VanDerWaalsContact CE1-CB 3.44Å; F75-A123 HydrophobicContact CE2-CB 4.4Å; F75-A123 HydrophobicContact CZ-CB 3.71Å; F75-A123 WeakPolarHBondContact CZ-O 3.48Å; M119-A123 PolarHBondContact O-N 3.21Å; L120-A123 VanDerWaalsContact O-CB 3.32Å; L120-A123 WeakPolarHBondContact O-CB 3.48Å; L120-A123 PolarHBondContact O-N 2.98Å; A123-L125 PolarHBondContact O-N 3.36Å; A123-Y126 PolarHBondContact O-N 3.08Å; A123-L127 PolarHBondContact O-N 3.23Å
124E88.4Confident93.1Very high152 Ų15269.5 Ų69.571%0.7134%0.337SS*.Hα-helixtrans-56.5-34.6175.964.4-179.5-174.400113.6S122 Y126S122-E124 PolarHBondContact O-N 3.36Å; E124-Y126 PolarHBondContact O-N 3.14Å
125L90.6Very high93.1Very high113 Ų11373.2 Ų73.259%0.59235%0.351SS*.Hα-helixtrans-73-17179-57.6-178.6000112.5S122 A123S122-L125 WeakPolarHBondContact O-CB 3.36Å; S122-L125 PolarHBondContact O-N 2.8Å; A123-L125 PolarHBondContact O-N 3.36Å
126Y89.5Confident93.1Very high58 Ų5871.5 Ų71.523%0.22734%0.34CS..Hα-helixtrans-110.90.9-175.2-63.6-82.3000113.5M119 S122 A123 E124 H128 R129 I130 V133M119-Y126 HydrophobicContact CE-CD1 4.49Å; M119-Y126 HydrophobicContact CE-CE1 4.26Å; M119-Y126 HydrophobicContact CG-CD2 4.35Å; M119-Y126 HydrophobicContact CG-CE2 4.43Å; S122-Y126 VanDerWaalsContact O-CD2 3.27Å; S122-Y126 WeakPolarHBondContact O-CD2 3.45Å; A123-Y126 PolarHBondContact O-N 3.08Å; E124-Y126 PolarHBondContact O-N 3.14Å; Y126-H128 PolarHBondContact O-N 3.5Å; Y126-R129 HydrophobicContact CD1-CB 4.43Å; Y126-R129 CarbonylContact O-C 3.58Å; Y126-R129 PolarHBondContact O-N 3.49Å; Y126-I130 WeakPolarHBondContact O-CD1 3.46Å; Y126-V133 HydrophobicContact CD1-CG2 4.4Å; Y126-V133 HydrophobicContact CG-CG2 4.22Å
127L87.3Confident93.1Very high76 Ų7671.8 Ų71.840%0.39834%0.343SS..THydrogen-bonded Turntrans-55.6-28.6-179.1-71.1174.1000114.3V71 F75 A123V71-L127 HydrophobicContact CG1-CD2 3.92Å; F75-L127 HydrophobicContact CE2-CD2 4.15Å; A123-L127 PolarHBondContact O-N 3.23Å
128H88.1Confident93.1Very high183 Ų18376.8 Ų76.885%0.84737%0.369SS*.THydrogen-bonded Turntrans-106.45.6178.1-57.4-49.5000113.4Y126Y126-H128 PolarHBondContact O-N 3.5Å
129R91.3Very high93.2Very high120 Ų12079.2 Ų79.245%0.45338%0.376SS..  trans-122.246.4-177.5-60.4173.273.4-167.42.7110Y126 E131 E132 V133Y126-R129 HydrophobicContact CD1-CB 4.43Å; Y126-R129 CarbonylContact O-C 3.58Å; Y126-R129 PolarHBondContact O-N 3.49Å; R129-E131 VanDerWaalsContact C-N 3.32Å; R129-E131 PolarHBondContact O-N 2.95Å; R129-E132 HydrophobicContact CB-CB 4.46Å; R129-E132 HydrophobicContact CB-CG 4.36Å; R129-E132 IonicContact CZ-OE1 3.73Å; R129-E132 IonicContact CZ-OE2 3.2Å; R129-E132 IonicContact NE-OE1 3.64Å; R129-E132 PolarHBondContact NE-OE1 3.12Å; R129-E132 IonicContact NE-OE2 2.72Å; R129-E132 PolarHBondContact NE-OE2 2.95Å; R129-E132 VanDerWaalsContact NE-OE2 3.08Å; R129-E132 IonicContact NH1-OE2 3.39Å; R129-E132 IonicContact NH2-OE1 2.97Å; R129-E132 PolarHBondContact NH2-OE1 3.01Å; R129-E132 IonicContact NH2-OE2 3.14Å; R129-E132 PolarHBondContact NH2-OE2 3.23Å; R129-E132 WeakPolarHBondContact O-CB 3.46Å; R129-E132 PolarHBondContact O-N 3.31Å; R129-E132 VanDerWaalsContact O-N 3.12Å; R129-V133 PolarHBondContact O-N 2.91Å
130I91.1Very high93.4Very high28 Ų2879 Ų7914%0.14437%0.374CS..Hα-helixtrans-65.2-33.4-170.5-61.4-51.6000113.2V71 A74 F75 Y126 E132 V133 Q134V71-I130 HydrophobicContact CB-CD1 3.94Å; V71-I130 HydrophobicContact CB-CG1 4.29Å; V71-I130 HydrophobicContact CG1-CD1 3.83Å; V71-I130 HydrophobicContact CG2-CD1 3.78Å; V71-I130 HydrophobicContact CG2-CG1 3.68Å; A74-I130 HydrophobicContact CB-CG2 3.96Å; F75-I130 HydrophobicContact CE2-CD1 4.25Å; Y126-I130 WeakPolarHBondContact O-CD1 3.46Å; I130-E132 VanDerWaalsContact C-N 3.26Å; I130-E132 PolarHBondContact O-N 3.4Å; I130-V133 HydrophobicContact CD1-CG2 4.49Å; I130-V133 WeakPolarHBondContact O-CB 3.24Å; I130-V133 PolarHBondContact O-N 3.37Å; I130-V133 VanDerWaalsContact O-N 3.11Å; I130-Q134 HydrophobicContact CG2-CG 4.3Å; I130-Q134 WeakPolarHBondContact O-CG 3.43Å; I130-Q134 PolarHBondContact O-N 3.49Å
131E93.8Very high93.6Very high150 Ų15080.6 Ų80.670%0.70138%0.383SS*.Hα-helixtrans-57.2-42.7173.7-67.2175.5173.700110.8R129 V133 Q134 E135R129-E131 VanDerWaalsContact C-N 3.32Å; R129-E131 PolarHBondContact O-N 2.95Å; E131-V133 VanDerWaalsContact C-N 3.35Å; E131-V133 PolarHBondContact O-N 3.41Å; E131-Q134 WeakPolarHBondContact O-CB 3.27Å; E131-Q134 PolarHBondContact O-N 3.34Å; E131-E135 WeakPolarHBondContact O-CG 3.32Å; E131-E135 PolarHBondContact O-N 3.47Å
132E95.2Very high93.9Very high72 Ų7279.6 Ų79.634%0.33639%0.387SS..Hα-helixtrans-67.7-33.5176.4-58.5-178.1-156.400113R129 I130 Q134 F136R129-E132 HydrophobicContact CB-CB 4.46Å; R129-E132 HydrophobicContact CB-CG 4.36Å; R129-E132 IonicContact CZ-OE1 3.73Å; R129-E132 IonicContact CZ-OE2 3.2Å; R129-E132 IonicContact NE-OE1 3.64Å; R129-E132 PolarHBondContact NE-OE1 3.12Å; R129-E132 IonicContact NE-OE2 2.72Å; R129-E132 PolarHBondContact NE-OE2 2.95Å; R129-E132 VanDerWaalsContact NE-OE2 3.08Å; R129-E132 IonicContact NH1-OE2 3.39Å; R129-E132 IonicContact NH2-OE1 2.97Å; R129-E132 PolarHBondContact NH2-OE1 3.01Å; R129-E132 IonicContact NH2-OE2 3.14Å; R129-E132 PolarHBondContact NH2-OE2 3.23Å; R129-E132 WeakPolarHBondContact O-CB 3.46Å; R129-E132 PolarHBondContact O-N 3.31Å; R129-E132 VanDerWaalsContact O-N 3.12Å; I130-E132 VanDerWaalsContact C-N 3.26Å; I130-E132 PolarHBondContact O-N 3.4Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; E132-F136 VanDerWaalsContact O-CB 3.23Å; E132-F136 WeakPolarHBondContact O-CB 3.31Å; E132-F136 PolarHBondContact O-N 3.09Å
133V95.1Very high94.1Very high0 Ų079.5 Ų79.50%039%0.388CS..Hα-helixtrans-67-38.2174.5-1770000110.4A74 F75 V78 M119 Y126 R129 I130 E131 A137A74-V133 HydrophobicContact CB-CB 4.08Å; A74-V133 HydrophobicContact CB-CG1 3.66Å; F75-V133 HydrophobicContact CD1-CG1 4.11Å; F75-V133 HydrophobicContact CE1-CG1 4.08Å; F75-V133 HydrophobicContact CE1-CG2 4.19Å; F75-V133 HydrophobicContact CG-CG1 4.5Å; F75-V133 HydrophobicContact CZ-CG1 4.45Å; F75-V133 HydrophobicContact CZ-CG2 4.03Å; V78-V133 HydrophobicContact CG2-CG1 3.96Å; M119-V133 HydrophobicContact SD-CB 4.33Å; M119-V133 HydrophobicContact SD-CG1 3.91Å; M119-V133 HydrophobicContact SD-CG2 4.29Å; Y126-V133 HydrophobicContact CD1-CG2 4.4Å; Y126-V133 HydrophobicContact CG-CG2 4.22Å; R129-V133 PolarHBondContact O-N 2.91Å; I130-V133 HydrophobicContact CD1-CG2 4.49Å; I130-V133 WeakPolarHBondContact O-CB 3.24Å; I130-V133 PolarHBondContact O-N 3.37Å; I130-V133 VanDerWaalsContact O-N 3.11Å; E131-V133 VanDerWaalsContact C-N 3.35Å; E131-V133 PolarHBondContact O-N 3.41Å; V133-A137 WeakPolarHBondContact O-CB 3.35Å; V133-A137 PolarHBondContact O-N 3.24Å
134Q95.5Very high94.5Very high82 Ų8278.3 Ų78.338%0.38338%0.378SS..Hα-helixtrans-68.9-49177.3-71.2176.1-42.900111.4A74 I130 E131 E132 F136 A137 D138A74-Q134 HydrophobicContact CB-CG 3.93Å; I130-Q134 HydrophobicContact CG2-CG 4.3Å; I130-Q134 WeakPolarHBondContact O-CG 3.43Å; I130-Q134 PolarHBondContact O-N 3.49Å; E131-Q134 WeakPolarHBondContact O-CB 3.27Å; E131-Q134 PolarHBondContact O-N 3.34Å; E132-Q134 VanDerWaalsContact C-N 3.32Å; Q134-F136 VanDerWaalsContact C-N 3.26Å; Q134-F136 PolarHBondContact O-N 2.78Å; Q134-A137 WeakPolarHBondContact O-CB 3.37Å; Q134-A137 PolarHBondContact O-N 3.39Å; Q134-D138 PolarHBondContact O-N 3.08Å
135E97.5Very high95Very high123 Ų12375.1 Ų75.158%0.57537%0.366SS*.Hα-helixtrans-55.4-44.7174.9-73.3176.917600111E131 A137 D138 E139E131-E135 WeakPolarHBondContact O-CG 3.32Å; E131-E135 PolarHBondContact O-N 3.47Å; E135-A137 PolarHBondContact O-N 2.74Å; E135-D138 PolarHBondContact O-N 3.31Å; E135-E139 WeakPolarHBondContact O-CG 3.14Å; E135-E139 PolarHBondContact O-N 3.15Å
136F98Very high95.3Very high39 Ų3976.2 Ų76.217%0.17136%0.363CS..Hα-helixtrans-63.8-40.7175.6-179.3-103.7000112.8V78 N115 M119 E132 Q134 D138 E139 L140V78-F136 HydrophobicContact CG1-CD1 4.48Å; V78-F136 HydrophobicContact CG1-CE1 4.17Å; V78-F136 HydrophobicContact CG2-CD1 4.16Å; N115-F136 HydrophobicContact CB-CE2 4.35Å; N115-F136 HydrophobicContact CB-CZ 3.94Å; M119-F136 HydrophobicContact CB-CD1 4.22Å; M119-F136 HydrophobicContact CB-CE1 3.68Å; M119-F136 HydrophobicContact CB-CZ 4.27Å; M119-F136 HydrophobicContact CE-CB 3.55Å; M119-F136 HydrophobicContact CE-CD1 3.36Å; M119-F136 HydrophobicContact CE-CD2 4.06Å; M119-F136 HydrophobicContact CE-CE1 3.93Å; M119-F136 HydrophobicContact CE-CG 3.38Å; M119-F136 HydrophobicContact CG-CD1 4.31Å; M119-F136 HydrophobicContact CG-CE1 4.25Å; M119-F136 HydrophobicContact SD-CB 4.09Å; M119-F136 HydrophobicContact SD-CD1 3.16Å; M119-F136 WeakPolarHBondContact SD-CD1 3.48Å; M119-F136 HydrophobicContact SD-CE1 3.67Å; M119-F136 HydrophobicContact SD-CG 3.83Å; E132-F136 VanDerWaalsContact O-CB 3.23Å; E132-F136 WeakPolarHBondContact O-CB 3.31Å; E132-F136 PolarHBondContact O-N 3.09Å; Q134-F136 VanDerWaalsContact C-N 3.26Å; Q134-F136 PolarHBondContact O-N 2.78Å; F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 PolarHBondContact O-N 3.22Å; F136-E139 PolarHBondContact O-N 2.73Å; F136-L140 HydrophobicContact CD1-CD1 3.84Å; F136-L140 HydrophobicContact CD1-CG 4.17Å; F136-L140 HydrophobicContact CE1-CD1 3.49Å; F136-L140 VanDerWaalsContact CE1-CD1 3.49Å; F136-L140 HydrophobicContact CE1-CD2 4.15Å; F136-L140 HydrophobicContact CE1-CG 3.91Å; F136-L140 HydrophobicContact CE2-CD2 4.34Å; F136-L140 HydrophobicContact CZ-CD1 4.1Å; F136-L140 HydrophobicContact CZ-CD2 3.88Å; F136-L140 HydrophobicContact CZ-CG 4.09Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.4Å; F136-L140 PolarHBondContact O-N 2.9Å
137A96.9Very high95.7Very high6 Ų673.7 Ų73.75%0.0535%0.353CS..Hα-helixtrans-61.8-38175.700000112.1A77 V78 V133 Q134 E135 L140 D141A77-A137 HydrophobicContact CB-CB 4.09Å; V78-A137 HydrophobicContact CG2-CB 3.89Å; V133-A137 WeakPolarHBondContact O-CB 3.35Å; V133-A137 PolarHBondContact O-N 3.24Å; Q134-A137 WeakPolarHBondContact O-CB 3.37Å; Q134-A137 PolarHBondContact O-N 3.39Å; E135-A137 PolarHBondContact O-N 2.74Å; A137-L140 PolarHBondContact O-N 2.91Å; A137-D141 PolarHBondContact O-N 3.2Å
138D97.4Very high96.1Very high106 Ų10673 Ų7357%0.56735%0.348SS*.Hα-helixtrans-67.9-41.6175.2-67.7-18.2000111.3Q134 E135 F136 L140 D141 I142Q134-D138 PolarHBondContact O-N 3.08Å; E135-D138 PolarHBondContact O-N 3.31Å; F136-D138 VanDerWaalsContact C-N 3.28Å; F136-D138 PolarHBondContact O-N 3.22Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.2Å; D138-D141 WeakPolarHBondContact O-CB 3.33Å; D138-D141 PolarHBondContact O-N 3.47Å; D138-I142 WeakPolarHBondContact O-CG1 3.49Å; D138-I142 PolarHBondContact O-N 2.67Å
139E98.3Very high96.6Very high126 Ų12671.5 Ų71.559%0.58934%0.34SS*.Hα-helixtrans-60.2-42.5173.6-74.4-178.6-17700112.1E135 F136 D141 I142 A143E135-E139 WeakPolarHBondContact O-CG 3.14Å; E135-E139 PolarHBondContact O-N 3.15Å; F136-E139 PolarHBondContact O-N 2.73Å; E139-D141 VanDerWaalsContact C-N 3.34Å; E139-I142 PolarHBondContact O-N 3.36Å; E139-A143 WeakPolarHBondContact O-CB 3.41Å; E139-A143 PolarHBondContact O-N 3.02Å
140L98.4Very high96.7Very high8 Ų866.7 Ų66.74%0.04232%0.322CS..Hα-helixtrans-60.9-44.1173.8-66.8175.8000111V78 Q81 V112 A116 F136 A137 D138 A143 L144V78-L140 HydrophobicContact CG1-CD1 4.01Å; Q81-L140 HydrophobicContact CB-CB 4.04Å; Q81-L140 HydrophobicContact CB-CD1 4.21Å; Q81-L140 HydrophobicContact CG-CB 4.28Å; V112-L140 HydrophobicContact CG1-CB 4.39Å; V112-L140 HydrophobicContact CG1-CD2 3.59Å; A116-L140 HydrophobicContact CB-CD1 3.68Å; A116-L140 HydrophobicContact CB-CD2 4.3Å; F136-L140 HydrophobicContact CD1-CD1 3.84Å; F136-L140 HydrophobicContact CD1-CG 4.17Å; F136-L140 HydrophobicContact CE1-CD1 3.49Å; F136-L140 VanDerWaalsContact CE1-CD1 3.49Å; F136-L140 HydrophobicContact CE1-CD2 4.15Å; F136-L140 HydrophobicContact CE1-CG 3.91Å; F136-L140 HydrophobicContact CE2-CD2 4.34Å; F136-L140 HydrophobicContact CZ-CD1 4.1Å; F136-L140 HydrophobicContact CZ-CD2 3.88Å; F136-L140 HydrophobicContact CZ-CG 4.09Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.4Å; F136-L140 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 2.91Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.2Å; L140-A143 PolarHBondContact O-N 3.31Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 3.31Å
141D98.2Very high96.9Very high51 Ų5166 Ų6627%0.27332%0.318SS..Hα-helixtrans-60.7-46.6179.7-170.358.5000111.9Q81 R84 A137 D138 E139 A143 L144 L145Q81-D141 PolarHBondContact NE2-OD1 3.5Å; R84-D141 IonicContact CZ-OD1 2.99Å; R84-D141 IonicContact NH1-OD1 3.76Å; R84-D141 PolarHBondContact NH1-OD1 3.15Å; A137-D141 PolarHBondContact O-N 3.2Å; D138-D141 WeakPolarHBondContact O-CB 3.33Å; D138-D141 PolarHBondContact O-N 3.47Å; E139-D141 VanDerWaalsContact C-N 3.34Å; D141-A143 VanDerWaalsContact C-N 3.35Å; D141-A143 PolarHBondContact O-N 3.4Å; D141-L144 PolarHBondContact O-N 3.06Å; D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 WeakPolarHBondContact O-CG 3.33Å; D141-L145 PolarHBondContact O-N 3.4Å
142I98.3Very high97Very high115 Ų11561.4 Ų61.459%0.5931%0.306SS*.Hα-helixtrans-60.3-45176.9-67.6168.4000110.9D138 E139 L144 L145 Y146D138-I142 WeakPolarHBondContact O-CG1 3.49Å; D138-I142 PolarHBondContact O-N 2.67Å; E139-I142 PolarHBondContact O-N 3.36Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.4Å; I142-L145 PolarHBondContact O-N 3.05Å; I142-Y146 PolarHBondContact O-N 3.33Å
143A98.2Very high96.9Very high36 Ų3659.5 Ų59.530%0.29830%0.303SS..Hα-helixtrans-61.8-41.5178.600000112V112 E139 L140 D141 Y146 I147V112-A143 HydrophobicContact CG2-CB 3.75Å; E139-A143 WeakPolarHBondContact O-CB 3.41Å; E139-A143 PolarHBondContact O-N 3.02Å; L140-A143 PolarHBondContact O-N 3.31Å; D141-A143 VanDerWaalsContact C-N 3.35Å; D141-A143 PolarHBondContact O-N 3.4Å; A143-Y146 PolarHBondContact O-N 2.89Å; A143-I147 WeakPolarHBondContact O-CG1 3.5Å; A143-I147 PolarHBondContact O-N 3.2Å
144L98.3Very high96.7Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-68.9-39.3177.6-66.7168.2000112.2Q81 R84 L88 V112 L140 D141 I142 Y146 I147 E148Q81-L144 HydrophobicContact CB-CD1 3.81Å; Q81-L144 HydrophobicContact CG-CD1 4.41Å; Q81-L144 WeakPolarHBondContact O-CD1 3.47Å; Q81-L144 VanDerWaalsContact OE1-CD1 3.22Å; R84-L144 HydrophobicContact CB-CD1 4.41Å; R84-L144 HydrophobicContact CG-CD1 4.3Å; L88-L144 HydrophobicContact CD1-CB 4.22Å; L88-L144 HydrophobicContact CD1-CD2 3.83Å; V112-L144 HydrophobicContact CB-CD2 4.37Å; V112-L144 HydrophobicContact CG1-CD1 4.31Å; V112-L144 HydrophobicContact CG1-CD2 3.79Å; V112-L144 HydrophobicContact CG1-CG 3.86Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 3.31Å; D141-L144 PolarHBondContact O-N 3.06Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.4Å; L144-Y146 VanDerWaalsContact C-N 3.3Å; L144-Y146 PolarHBondContact O-N 3.46Å; L144-I147 PolarHBondContact O-N 2.68Å; L144-E148 WeakPolarHBondContact O-CG 3.27Å; L144-E148 PolarHBondContact O-N 3.17Å
145L98.2Very high96.5Very high85 Ų8562.5 Ų62.545%0.44532%0.316SS..Hα-helixtrans-59.8-41.6174.5-77.2169.7000111.8D141 I142 I147 E148 F149D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 WeakPolarHBondContact O-CG 3.33Å; D141-L145 PolarHBondContact O-N 3.4Å; I142-L145 PolarHBondContact O-N 3.05Å; L145-I147 VanDerWaalsContact C-N 3.33Å; L145-I147 PolarHBondContact O-N 3.4Å; L145-E148 PolarHBondContact O-N 3.24Å; L145-F149 WeakPolarHBondContact O-CB 3.1Å; L145-F149 PolarHBondContact O-N 2.99Å
146Y97.6Very high96.2Very high136 Ų13658.9 Ų58.953%0.53330%0.304SS..Hα-helixtrans-60.6-44.2176.1179.3-93.1000111.5I142 A143 L144 F149 E150I142-Y146 PolarHBondContact O-N 3.33Å; A143-Y146 PolarHBondContact O-N 2.89Å; L144-Y146 VanDerWaalsContact C-N 3.3Å; L144-Y146 PolarHBondContact O-N 3.46Å; Y146-F149 WeakPolarHBondContact O-CB 3.3Å; Y146-F149 PolarHBondContact O-N 3.49Å; Y146-E150 HydrophobicContact CD1-CG 4.27Å; Y146-E150 VanDerWaalsContact CE1-CD 3.42Å; Y146-E150 HydrophobicContact CE1-CG 3.75Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.38Å; Y146-E150 WeakPolarHBondContact O-CG 3.22Å; Y146-E150 PolarHBondContact O-N 3.48Å; Y146-E150 PolarHBondContact OH-OE1 3.12Å
147I96.7Very high95.8Very high5 Ų562.1 Ų62.13%0.02632%0.32CS..Hα-helixtrans-64.8-46.9178.1-68.5169.5000111.6L88 D108 N109 V112 A143 L144 L145 F149 E150 Q151L88-I147 HydrophobicContact CD1-CG2 4.38Å; D108-I147 HydrophobicContact CB-CD1 4.06Å; D108-I147 HydrophobicContact CB-CG1 4.41Å; N109-I147 HydrophobicContact CB-CD1 4.3Å; N109-I147 WeakPolarHBondContact ND2-CG2 3.22Å; N109-I147 WeakPolarHBondContact OD1-CD1 3.24Å; N109-I147 WeakPolarHBondContact OD1-CG2 3.43Å; V112-I147 HydrophobicContact CG2-CD1 4.38Å; A143-I147 WeakPolarHBondContact O-CG1 3.5Å; A143-I147 PolarHBondContact O-N 3.2Å; L144-I147 PolarHBondContact O-N 2.68Å; L145-I147 VanDerWaalsContact C-N 3.33Å; L145-I147 PolarHBondContact O-N 3.4Å; I147-F149 VanDerWaalsContact C-N 3.25Å; I147-F149 PolarHBondContact O-N 2.89Å; I147-E150 PolarHBondContact O-N 2.99Å; I147-E150 VanDerWaalsContact O-N 3.13Å; I147-Q151 WeakPolarHBondContact O-CG 3.3Å; I147-Q151 PolarHBondContact O-N 2.88Å
148E97Very high94.9Very high62 Ų6265.3 Ų65.329%0.2934%0.335SS..Hα-helixtrans-57.8-42.1176.6-78.5175.9172.600111.2R84 L88 L144 L145 Q151 A152R84-E148 IonicContact CZ-OE1 2.76Å; R84-E148 IonicContact CZ-OE2 2.89Å; R84-E148 IonicContact NE-OE1 3.07Å; R84-E148 PolarHBondContact NE-OE1 3.21Å; R84-E148 IonicContact NE-OE2 2.69Å; R84-E148 IonicContact NH2-OE1 3.68Å; R84-E148 PolarHBondContact NH2-OE1 2.77Å; R84-E148 IonicContact NH2-OE2 3.08Å; R84-E148 PolarHBondContact NH2-OE2 3.09Å; L88-E148 HydrophobicContact CD1-CG 3.59Å; L88-E148 HydrophobicContact CD2-CG 3.49Å; L88-E148 VanDerWaalsContact CD2-CG 3.49Å; L88-E148 HydrophobicContact CG-CG 4.19Å; L144-E148 WeakPolarHBondContact O-CG 3.27Å; L144-E148 PolarHBondContact O-N 3.17Å; L145-E148 PolarHBondContact O-N 3.24Å; E148-Q151 PolarHBondContact O-N 3.01Å; E148-A152 WeakPolarHBondContact O-CB 3.47Å; E148-A152 PolarHBondContact O-N 3.29Å
149F96.9Very high93.7Very high152 Ų15267.4 Ų67.467%0.66734%0.342SS*.Hα-helixtrans-61.3-45.2175179.9-96.3000111.6L145 Y146 I147 Q151 A152 A153L145-F149 WeakPolarHBondContact O-CB 3.1Å; L145-F149 PolarHBondContact O-N 2.99Å; Y146-F149 WeakPolarHBondContact O-CB 3.3Å; Y146-F149 PolarHBondContact O-N 3.49Å; I147-F149 VanDerWaalsContact C-N 3.25Å; I147-F149 PolarHBondContact O-N 2.89Å; F149-Q151 PolarHBondContact O-N 2.91Å; F149-A152 PolarHBondContact O-N 3.47Å; F149-A153 WeakPolarHBondContact O-CB 3.18Å; F149-A153 PolarHBondContact O-N 3.08Å
150E94.9Very high91.9Very high19 Ų1970.7 Ų70.79%0.08935%0.35CS..Hα-helixtrans-61.7-42.8175.7-68.6-161.315900111.9R104 M105 Y146 I147 A153 W154R104-E150 IonicContact CZ-OE1 2.81Å; R104-E150 IonicContact CZ-OE2 3.58Å; R104-E150 IonicContact NH1-OE1 2.63Å; R104-E150 IonicContact NH1-OE2 3.31Å; R104-E150 VanDerWaalsContact NH2-CD 3.35Å; R104-E150 IonicContact NH2-OE1 3.1Å; R104-E150 PolarHBondContact NH2-OE1 3.27Å; R104-E150 IonicContact NH2-OE2 2.66Å; R104-E150 PolarHBondContact NH2-OE2 3.4Å; M105-E150 HydrophobicContact CE-CB 3.57Å; Y146-E150 HydrophobicContact CD1-CG 4.27Å; Y146-E150 VanDerWaalsContact CE1-CD 3.42Å; Y146-E150 HydrophobicContact CE1-CG 3.75Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.38Å; Y146-E150 WeakPolarHBondContact O-CG 3.22Å; Y146-E150 PolarHBondContact O-N 3.48Å; Y146-E150 PolarHBondContact OH-OE1 3.12Å; I147-E150 PolarHBondContact O-N 2.99Å; I147-E150 VanDerWaalsContact O-N 3.13Å; E150-A153 PolarHBondContact O-N 2.63Å; E150-W154 VanDerWaalsContact O-CD1 3.31Å; E150-W154 PolarHBondContact O-N 3.41Å; E150-W154 VanDerWaalsContact O-N 3.09Å
151Q95.2Very high89.5Confident12 Ų1271.2 Ų71.26%0.05636%0.357CS..Hα-helixtrans-61.4-45.8176.3-72.3178.2-21.900111.8L88 S92 M105 I147 E148 F149 A153 W154 L155L88-Q151 PolarHBondContact O-NE2 3.27Å; S92-Q151 PolarHBondContact OG-NE2 3.43Å; M105-Q151 HydrophobicContact SD-CG 3.92Å; I147-Q151 WeakPolarHBondContact O-CG 3.3Å; I147-Q151 PolarHBondContact O-N 2.88Å; E148-Q151 PolarHBondContact O-N 3.01Å; F149-Q151 PolarHBondContact O-N 2.91Å; Q151-A153 VanDerWaalsContact C-N 3.33Å; Q151-A153 PolarHBondContact O-N 2.81Å; Q151-W154 PolarHBondContact O-N 3.03Å; Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 3.27Å
152A94.9Very high87.3Confident55 Ų5575.3 Ų75.346%0.45539%0.387SS..Hα-helixtrans-61.9-41.2177.200000111.7E148 F149 W154 L155 S156E148-A152 WeakPolarHBondContact O-CB 3.47Å; E148-A152 PolarHBondContact O-N 3.29Å; F149-A152 PolarHBondContact O-N 3.47Å; A152-W154 VanDerWaalsContact C-N 3.31Å; A152-W154 PolarHBondContact O-N 2.75Å; A152-L155 PolarHBondContact O-N 3.1Å; A152-S156 PolarHBondContact O-N 3.35Å
153A93.9Very high84.8Confident32 Ų3275 Ų7526%0.26439%0.39SS..Hα-helixtrans-59.4-42.4175.300000111.4F149 E150 Q151 S156 Q157F149-A153 WeakPolarHBondContact O-CB 3.18Å; F149-A153 PolarHBondContact O-N 3.08Å; E150-A153 PolarHBondContact O-N 2.63Å; Q151-A153 VanDerWaalsContact C-N 3.33Å; Q151-A153 PolarHBondContact O-N 2.81Å; A153-S156 PolarHBondContact O-N 3.48Å; A153-S156 PolarHBondContact O-OG 3.47Å; A153-Q157 WeakPolarHBondContact O-CG 3.32Å; A153-Q157 PolarHBondContact O-N 3.34Å
154W91.2Very high82Confident68 Ų6877 Ų7726%0.25841%0.414SS..Hα-helixtrans-66.7-42.5175.7-87.397.6000113.5L95 A97 V101 M105 E150 Q151 A152 S156 Q157 I158L95-W154 HydrophobicContact CD2-CB 4.13Å; A97-W154 HydrophobicContact CB-CD2 4.21Å; A97-W154 HydrophobicContact CB-CE3 4.19Å; A97-W154 HydrophobicContact CB-CG 4.48Å; V101-W154 HydrophobicContact CB-CZ2 4.41Å; V101-W154 HydrophobicContact CG1-CD2 4.2Å; V101-W154 HydrophobicContact CG1-CG 4.38Å; V101-W154 HydrophobicContact CG1-CZ2 3.96Å; V101-W154 HydrophobicContact CG2-CH2 4.16Å; V101-W154 HydrophobicContact CG2-CZ2 3.63Å; M105-W154 HydrophobicContact CE-CG 4.24Å; E150-W154 VanDerWaalsContact O-CD1 3.31Å; E150-W154 PolarHBondContact O-N 3.41Å; E150-W154 VanDerWaalsContact O-N 3.09Å; Q151-W154 PolarHBondContact O-N 3.03Å; A152-W154 VanDerWaalsContact C-N 3.31Å; A152-W154 PolarHBondContact O-N 2.75Å; W154-S156 VanDerWaalsContact C-N 3.31Å; W154-S156 PolarHBondContact O-N 3.01Å; W154-Q157 PolarHBondContact O-N 3.21Å; W154-I158 WeakPolarHBondContact O-CD1 3.28Å; W154-I158 WeakPolarHBondContact O-CG1 3.42Å; W154-I158 PolarHBondContact O-N 3.27Å
155L91.6Very high78.9Confident76 Ų7682.1 Ų82.140%0.39845%0.45SS..Hα-helixtrans-60.3-42.6175.9-71.3170.7000111.3L95 P96 Q151 A152 Q157 I158 E159L95-L155 HydrophobicContact CD1-CD1 4.37Å; L95-L155 HydrophobicContact CD1-CD2 3.85Å; L95-L155 HydrophobicContact CD1-CG 3.86Å; P96-L155 HydrophobicContact CG-CD2 4.02Å; Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 3.27Å; A152-L155 PolarHBondContact O-N 3.1Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.39Å; L155-I158 PolarHBondContact O-N 3.09Å; L155-I158 VanDerWaalsContact O-N 3.12Å; L155-E159 PolarHBondContact O-N 3.13Å; L155-E159 VanDerWaalsContact O-N 3.15Å
156S91.1Very high76.1Confident48 Ų4885.5 Ų85.534%0.33646%0.463SS..Hα-helixtrans-61.3-39.6177.976.60000112.5A152 A153 W154 I158 E159 Y160A152-S156 PolarHBondContact O-N 3.35Å; A153-S156 PolarHBondContact O-N 3.48Å; A153-S156 PolarHBondContact O-OG 3.47Å; W154-S156 VanDerWaalsContact C-N 3.31Å; W154-S156 PolarHBondContact O-N 3.01Å; S156-I158 PolarHBondContact O-N 3.04Å; S156-E159 PolarHBondContact O-N 3.38Å; S156-Y160 WeakPolarHBondContact O-CD2 3.49Å; S156-Y160 PolarHBondContact O-N 3.01Å
157Q87.9Confident73.3Confident107 Ų10790 Ų9050%0.548%0.479SS..Hα-helixtrans-64.7-24.4178.8-71.6174.539.600113A153 W154 L155 G161A153-Q157 WeakPolarHBondContact O-CG 3.32Å; A153-Q157 PolarHBondContact O-N 3.34Å; W154-Q157 PolarHBondContact O-N 3.21Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.39Å; Q157-G161 VanDerWaalsContact O-CA 3.26Å; Q157-G161 WeakPolarHBondContact O-CA 3.46Å; Q157-G161 PolarHBondContact O-N 3.42Å
158I79.1Confident70.8Confident72 Ų7298.4 Ų98.437%0.36955%0.549SS..Hα-helixtrans-84.4-38.5179.8-64.3162.9000110.3P96 W154 L155 S156 Y160P96-I158 HydrophobicContact CB-CD1 3.76Å; P96-I158 HydrophobicContact CG-CD1 3.52Å; P96-I158 WeakPolarHBondContact O-CD1 3.17Å; W154-I158 WeakPolarHBondContact O-CD1 3.28Å; W154-I158 WeakPolarHBondContact O-CG1 3.42Å; W154-I158 PolarHBondContact O-N 3.27Å; L155-I158 PolarHBondContact O-N 3.09Å; L155-I158 VanDerWaalsContact O-N 3.12Å; S156-I158 PolarHBondContact O-N 3.04Å; I158-Y160 VanDerWaalsContact C-N 3.31Å; I158-Y160 PolarHBondContact O-N 3.45Å
159E73.1Confident69.5Low151 Ų151100.2 Ų100.271%0.70656%0.562SS**Hα-helixtrans-64.5-35.2172.8-68.3179.1177.200112.1L155 S156L155-E159 PolarHBondContact O-N 3.13Å; L155-E159 VanDerWaalsContact O-N 3.15Å; S156-E159 PolarHBondContact O-N 3.38Å
160Y60.1Low68Low195 Ų19597.5 Ų97.577%0.76556%0.557SS**SBendtrans-102.10.7-179.8-64.5-71000114.8S156 I158S156-Y160 WeakPolarHBondContact O-CD2 3.49Å; S156-Y160 PolarHBondContact O-N 3.01Å; I158-Y160 VanDerWaalsContact C-N 3.31Å; I158-Y160 PolarHBondContact O-N 3.45Å
161G47.8Very low66.5Low18 Ų18101.8 Ų101.819%0.18658%0.582CS.*SBendtrans-63.5158.6178.400000111.8Q157 T163 G164Q157-G161 VanDerWaalsContact O-CA 3.26Å; Q157-G161 WeakPolarHBondContact O-CA 3.46Å; Q157-G161 PolarHBondContact O-N 3.42Å; G161-T163 PolarHBondContact O-N 2.96Å; G161-G164 PolarHBondContact O-N 2.92Å
162P50.9Low64.9Low137 Ų137107.1 Ų107.189%0.8961%0.613SS**THydrogen-bonded Turntrans-68.616.2-174.129.3-34.6000114.6G164P162-G164 VanDerWaalsContact C-N 3.29Å
163T46.3Very low63Low109 Ų109110.4 Ų110.467%0.66962%0.623SS**THydrogen-bonded Turntrans-92.121.8167.148.70000113.5G161 S165G161-T163 PolarHBondContact O-N 2.96Å; T163-S165 PolarHBondContact O-N 3.25Å
164G40.4Very low60.9Low77 Ų77115.6 Ų115.679%0.79465%0.647SS**  trans-59.69.8151.500000114.7G161 P162 H166G161-G164 PolarHBondContact O-N 2.92Å; P162-G164 VanDerWaalsContact C-N 3.29Å; G164-H166 PolarHBondContact O-N 3.44Å; G164-H166 VanDerWaalsContact O-N 3.09Å
165S32.2Very low58.8Low108 Ų108119 Ų11976%0.75568%0.675SS**  trans-78.666.1161.91730000110.4T163T163-S165 PolarHBondContact O-N 3.25Å
166H38.8Very low56.2Low157 Ų157122.3 Ų122.373%0.72770%0.696SS**  trans-101.6115.1159-91.2-44.7000109.7G164G164-H166 PolarHBondContact O-N 3.44Å; G164-H166 VanDerWaalsContact O-N 3.09Å
167R39.7Very low53.3Low231 Ų231128.5 Ų128.587%0.87273%0.727SS**  trans56.290144.8-62.7178.7178.2174.90.2116.3
168A44Very low50.2Low180 Ų180130.5 Ų130.5100%1.48875%0.747SS**  trans-109.20132.600000107.5

Retrieved 168 of 168 residues in 89.5 ms (Link to these results)

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